4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid

C15H23F3N4O2 — CID 146279203

IUPAC4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid
SMILESCn1cc(C2CCCN2C2CCNCC2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H22N4.C2HF3O2/c1-16-10-11(9-15-16)13-3-2-8-17(13)12-4-6-14-7-5-12;3-2(4,5)1(6)7/h9-10,12-14H,2-8H2,1H3;(H,6,7)
InChIKeyPBOUZJBHPRWZLL-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.94
Rot. Bonds2

About 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid

4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid (PubChem CID 146279203) has the molecular formula C15H23F3N4O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid
PubChem CID146279203
Molecular FormulaC15H23F3N4O2
Molecular Weight348.37 g/mol
Exact Mass348.18
IUPAC Name4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid
SMILESCn1cc(C2CCCN2C2CCNCC2)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H22N4.C2HF3O2/c1-16-10-11(9-15-16)13-3-2-8-17(13)12-4-6-14-7-5-12;3-2(4,5)1(6)7/h9-10,12-14H,2-8H2,1H3;(H,6,7)
InChIKeyPBOUZJBHPRWZLL-UHFFFAOYSA-N
XLogP1.94
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-(Cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118744095
(2S,3R)-1-(cyclopropylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine;bis(2,2,2-trifluoroacetic acid)
CID 127022866
(2S,3R)-N-cyclopentyl-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 127023907
Tert-butyl 4-amino-3-[1-(difluoromethyl)pyrazol-4-yl]piperidine-1-carboxylate
CID 146402214
tert-butyl (3R,4R)-4-amino-3-[1-(difluoromethyl)pyrazol-4-yl]piperidine-1-carboxylate
CID 146402216
tert-butyl (3S,4S)-4-amino-3-[1-(difluoromethyl)pyrazol-4-yl]piperidine-1-carboxylate
CID 146423576
2,2,2-Trifluoro-1-[4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 153301078
[4-[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]piperidin-1-yl] 2,2,2-trifluoroacetate
CID 162512098
1-Methyl-3-[(1-methylpyrazol-4-yl)-(sulfamoylamino)methyl]piperidin-1-ium;2,2,2-trifluoroacetate
CID 164579929
2-[4-(2,2-Difluoro-7-azaspiro[3.5]nonan-6-yl)pyrazol-1-yl]acetic acid
CID 169749878
4-(4-Methylpyrazol-1-yl)piperidine;2,2,2-trifluoroacetic acid
CID 175876954
1-[2-(1-Methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid
CID 176060144

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid (CID 146279203) is 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid is Cn1cc(C2CCCN2C2CCNCC2)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid?
The InChIKey is PBOUZJBHPRWZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4.C2HF3O2/c1-16-10-11(9-15-16)13-3-2-8-17(13)12-4-6-14-7-5-12;3-2(4,5)1(6)7/h9-10,12-14H,2-8H2,1H3;(H,6,7).
What are the key properties of 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid?
4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid has a molecular weight of 348.37 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]piperidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 146279203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).