(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide

C17H24N4OS — CID 97333197

IUPAC(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
SMILESCc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC[C@H](C)c1cccs1
InChIInChI=1S/C17H24N4OS/c1-11(15-7-5-9-23-15)10-18-17(22)21-8-4-6-14(21)16-12(2)19-20-13(16)3/h5,7,9,11,14H,4,6,8,10H2,1-3H3,(H,18,22)(H,19,20)/t11-,14-/m0/s1
InChIKeyNKSFDZXLTXCXBJ-FZMZJTMJSA-N
MW332.47 g/mol
LogP3.74
Rot. Bonds4

About (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide

(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide (PubChem CID 97333197) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
PubChem CID97333197
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide
SMILESCc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC[C@H](C)c1cccs1
InChIInChI=1S/C17H24N4OS/c1-11(15-7-5-9-23-15)10-18-17(22)21-8-4-6-14(21)16-12(2)19-20-13(16)3/h5,7,9,11,14H,4,6,8,10H2,1-3H3,(H,18,22)(H,19,20)/t11-,14-/m0/s1
InChIKeyNKSFDZXLTXCXBJ-FZMZJTMJSA-N
XLogP3.74
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(1-thiophen-2-ylpropyl)pyrrolidine-1-carboxamide
CID 75515790
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-methoxy-3,3-dimethylbutyl]pyrrolidine-1-carboxamide
CID 97333226
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[2-(2-methylpropanoylamino)ethyl]azepane-1-carboxamide
CID 98574717
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-methoxyethyl)pyrrolidine-1-carboxamide
CID 97158372
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-[(3R)-3-methylmorpholin-4-yl]propyl]pyrrolidine-1-carboxamide
CID 129446030
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]azepane-1-carboxamide
CID 98574743
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]pyrrolidine-1-carboxamide
CID 75442499
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2R)-4-methoxy-4-methylpentan-2-yl]pyrrolidine-1-carboxamide
CID 97333211
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(2-propan-2-yloxy-3-pyridinyl)pyrrolidine-1-carboxamide
CID 84598369
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2-methylpyrimidin-4-yl)methyl]azepane-1-carboxamide
CID 75501107
2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(4-methoxy-3-methylphenyl)methyl]pyrrolidine-1-carboxamide
CID 84595420
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-(3,3,3-trifluoropropyl)azepane-1-carboxamide
CID 99853243

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide (CID 97333197) is (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide is Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NC[C@H](C)c1cccs1.
What is the InChIKey of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide?
The InChIKey is NKSFDZXLTXCXBJ-FZMZJTMJSA-N. The full InChI is InChI=1S/C17H24N4OS/c1-11(15-7-5-9-23-15)10-18-17(22)21-8-4-6-14(21)16-12(2)19-20-13(16)3/h5,7,9,11,14H,4,6,8,10H2,1-3H3,(H,18,22)(H,19,20)/t11-,14-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide?
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-N-[(2S)-2-thiophen-2-ylpropyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97333197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).