(3S)-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine

C17H19N5S — CID 97337761

IUPAC(3S)-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESc1ccc(N2CC[C@H](NCc3cn[nH]c3-c3cccs3)C2)nc1
InChIInChI=1S/C17H19N5S/c1-2-7-18-16(5-1)22-8-6-14(12-22)19-10-13-11-20-21-17(13)15-4-3-9-23-15/h1-5,7,9,11,14,19H,6,8,10,12H2,(H,20,21)/t14-/m0/s1
InChIKeyVEWKPQNTCKBTLP-AWEZNQCLSA-N
MW325.44 g/mol
LogP2.90
Rot. Bonds5

About (3S)-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine

(3S)-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine (PubChem CID 97337761) has the molecular formula C17H19N5S and a molecular weight of 325.44 g/mol. Its IUPAC name is (3S)-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine
PubChem CID97337761
Molecular FormulaC17H19N5S
Molecular Weight325.44 g/mol
Exact Mass325.14
IUPAC Name(3S)-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine
SMILESc1ccc(N2CC[C@H](NCc3cn[nH]c3-c3cccs3)C2)nc1
InChIInChI=1S/C17H19N5S/c1-2-7-18-16(5-1)22-8-6-14(12-22)19-10-13-11-20-21-17(13)15-4-3-9-23-15/h1-5,7,9,11,14,19H,6,8,10,12H2,(H,20,21)/t14-/m0/s1
InChIKeyVEWKPQNTCKBTLP-AWEZNQCLSA-N
XLogP2.90
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine with MolForge

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Related Compounds

(3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 95610632
N-[(2-morpholin-4-ylphenyl)methyl]-1-pyridin-2-ylpyrrolidin-3-amine
CID 75446101
(3S)-1-(6-methylpyridazin-3-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]piperidin-3-amine
CID 95339381
(3S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-1-(3-chloro-2-pyridinyl)pyrrolidin-3-amine
CID 97072925
4-methyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]piperazin-1-amine
CID 83010094
N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]-2-[6-(trifluoromethyl)-2-pyridinyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-amine
CID 77247633
1-[(3S)-1-cyclopropylpyrrolidin-3-yl]-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]methanamine
CID 38058413
N-[(3S)-1-pyridin-2-ylpyrrolidin-3-yl]-5-thiophen-3-yl-1H-pyrazole-4-carboxamide
CID 124620938
(3R)-N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 141191344
N-methyl-1-pyridin-2-ylpyrrolidin-3-amine
CID 79002061
N-[(2-aminophenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 66387456
(1R)-1-cyclohexyl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]ethanamine
CID 81384549

Frequently Asked Questions

What is the IUPAC name of (3S)-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of (3S)-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine (CID 97337761) is (3S)-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for (3S)-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine is c1ccc(N2CC[C@H](NCc3cn[nH]c3-c3cccs3)C2)nc1.
What is the InChIKey of (3S)-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine?
The InChIKey is VEWKPQNTCKBTLP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N5S/c1-2-7-18-16(5-1)22-8-6-14(12-22)19-10-13-11-20-21-17(13)15-4-3-9-23-15/h1-5,7,9,11,14,19H,6,8,10,12H2,(H,20,21)/t14-/m0/s1.
What are the key properties of (3S)-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine?
(3S)-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine has a molecular weight of 325.44 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-pyridin-2-yl-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 97337761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).