4-[[(2S,3R)-3-(cyclopropylmethoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid

C20H28F3N5O3 — CID 155826691

IUPAC4-[[(2S,3R)-3-(cyclopropylmethoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid
SMILESCn1cc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2cnn(C)c2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H27N5O.C2HF3O2/c1-21-10-15(8-19-21)7-17-18(24-13-14-3-4-14)5-6-23(17)12-16-9-20-22(2)11-16;3-2(4,5)1(6)7/h8-11,14,17-18H,3-7,12-13H2,1-2H3;(H,6,7)/t17-,18+;/m0./s1
InChIKeyZSCUUFOYIYZWBU-CJRXIRLBSA-N
MW443.47 g/mol
LogP2.40
Rot. Bonds7

About 4-[[(2S,3R)-3-(cyclopropylmethoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid

4-[[(2S,3R)-3-(cyclopropylmethoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid (PubChem CID 155826691) has the molecular formula C20H28F3N5O3 and a molecular weight of 443.47 g/mol. Its IUPAC name is 4-[[(2S,3R)-3-(cyclopropylmethoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[[(2S,3R)-3-(cyclopropylmethoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid
PubChem CID155826691
Molecular FormulaC20H28F3N5O3
Molecular Weight443.47 g/mol
Exact Mass443.21
IUPAC Name4-[[(2S,3R)-3-(cyclopropylmethoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid
SMILESCn1cc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2cnn(C)c2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H27N5O.C2HF3O2/c1-21-10-15(8-19-21)7-17-18(24-13-14-3-4-14)5-6-23(17)12-16-9-20-22(2)11-16;3-2(4,5)1(6)7/h8-11,14,17-18H,3-7,12-13H2,1-2H3;(H,6,7)/t17-,18+;/m0./s1
InChIKeyZSCUUFOYIYZWBU-CJRXIRLBSA-N
XLogP2.40
TPSA85.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[[(2S,3R)-3-(cyclopropylmethoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-[(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxolan-3-yl)pyrrolidin-3-yl]piperazine;tris(2,2,2-trifluoroacetic acid)
CID 127022356
(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-ylmethyl)pyrrolidin-3-ol;2,2,2-trifluoroacetic acid
CID 127022630
(2S,3R)-1-(cyclopropylmethyl)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol;2,2,2-trifluoroacetic acid
CID 127022820
[(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(1-fluorocyclopropyl)methanone
CID 131689403
1-[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-3-fluoropropan-1-one
CID 131689663
[(2S,3S)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 131689957
[(2S,3R)-3-(cyclopropylmethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 131690014
4-[[(2S,3S)-3-(2-methoxyethoxy)-1-(oxolan-3-yl)pyrrolidin-2-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid
CID 155826717
4-[[(2S,3R)-1-(cyclopropylmethyl)-3-(2-methoxyethoxy)pyrrolidin-2-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid
CID 155826774
(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(oxan-4-yl)pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 155826796
2-[(2S,3S)-3-(2-methoxyethoxy)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
CID 155826804
4-[[(2S,3R)-3-(2-methoxyethoxy)pyrrolidin-2-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid
CID 155826950

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S,3R)-3-(cyclopropylmethoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[[(2S,3R)-3-(cyclopropylmethoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid (CID 155826691) is 4-[[(2S,3R)-3-(cyclopropylmethoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[[(2S,3R)-3-(cyclopropylmethoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[[(2S,3R)-3-(cyclopropylmethoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid is Cn1cc(C[C@H]2[C@H](OCC3CC3)CCN2Cc2cnn(C)c2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[[(2S,3R)-3-(cyclopropylmethoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid?
The InChIKey is ZSCUUFOYIYZWBU-CJRXIRLBSA-N. The full InChI is InChI=1S/C18H27N5O.C2HF3O2/c1-21-10-15(8-19-21)7-17-18(24-13-14-3-4-14)5-6-23(17)12-16-9-20-22(2)11-16;3-2(4,5)1(6)7/h8-11,14,17-18H,3-7,12-13H2,1-2H3;(H,6,7)/t17-,18+;/m0./s1.
What are the key properties of 4-[[(2S,3R)-3-(cyclopropylmethoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid?
4-[[(2S,3R)-3-(cyclopropylmethoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid has a molecular weight of 443.47 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S,3R)-3-(cyclopropylmethoxy)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]-1-methylpyrazole;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155826691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).