(2S,3R)-1-(furan-3-ylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine

C16H24N4O — CID 97384331

IUPAC(2S,3R)-1-(furan-3-ylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCN(C)[C@@H]1CCN(Cc2ccoc2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C16H24N4O/c1-18(2)15-4-6-20(11-13-5-7-21-12-13)16(15)8-14-9-17-19(3)10-14/h5,7,9-10,12,15-16H,4,6,8,11H2,1-3H3/t15-,16+/m1/s1
InChIKeyVPYLTGVQKGQYLK-CVEARBPZSA-N
MW288.39 g/mol
LogP1.76
Rot. Bonds5

About (2S,3R)-1-(furan-3-ylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine

(2S,3R)-1-(furan-3-ylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 97384331) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is (2S,3R)-1-(furan-3-ylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(2S,3R)-1-(furan-3-ylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID97384331
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name(2S,3R)-1-(furan-3-ylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESCN(C)[C@@H]1CCN(Cc2ccoc2)[C@H]1Cc1cnn(C)c1
InChIInChI=1S/C16H24N4O/c1-18(2)15-4-6-20(11-13-5-7-21-12-13)16(15)8-14-9-17-19(3)10-14/h5,7,9-10,12,15-16H,4,6,8,11H2,1-3H3/t15-,16+/m1/s1
InChIKeyVPYLTGVQKGQYLK-CVEARBPZSA-N
XLogP1.76
TPSA37.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-1-(furan-3-ylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine 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

(2S,3R)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)pyrrolidin-3-amine
CID 97470960
3-[[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 97470959
[(2S,3R)-3-(dimethylamino)-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]methanone
CID 131683439
(2S,3R)-1-(cyclopropylmethyl)-N-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylpyrrolidin-3-amine
CID 97471009
(2R,3R)-2-benzyl-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-ol
CID 124814278
(2S,3S)-1-(furan-3-ylmethyl)-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97384253
(2S,3S)-1-[(1-methylpyrazol-4-yl)methyl]-2-(pyridin-4-ylmethyl)pyrrolidin-3-ol
CID 97384267
3-[[(2R,3R)-3-methoxy-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl]pyridine
CID 124817739
(3aS,7aS)-2-(furan-3-ylmethyl)-5-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 155864196
4-[[(2R,3R)-1-[(4-fluorophenyl)methyl]-3-(2-methoxyethoxy)pyrrolidin-2-yl]methyl]-1-methylpyrazole
CID 124821987
1-(furan-3-ylmethyl)-2-propan-2-ylazetidine
CID 127001213
(2S,3R)-2-[(1-methylpyrazol-4-yl)methyl]-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidin-3-ol
CID 97470239

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-(furan-3-ylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (2S,3R)-1-(furan-3-ylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine (CID 97384331) is (2S,3R)-1-(furan-3-ylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (2S,3R)-1-(furan-3-ylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (2S,3R)-1-(furan-3-ylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine is CN(C)[C@@H]1CCN(Cc2ccoc2)[C@H]1Cc1cnn(C)c1.
What is the InChIKey of (2S,3R)-1-(furan-3-ylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is VPYLTGVQKGQYLK-CVEARBPZSA-N. The full InChI is InChI=1S/C16H24N4O/c1-18(2)15-4-6-20(11-13-5-7-21-12-13)16(15)8-14-9-17-19(3)10-14/h5,7,9-10,12,15-16H,4,6,8,11H2,1-3H3/t15-,16+/m1/s1.
What are the key properties of (2S,3R)-1-(furan-3-ylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine?
(2S,3R)-1-(furan-3-ylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 288.39 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-(furan-3-ylmethyl)-N,N-dimethyl-2-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 97384331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).