(2S,4S)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide

C16H26N4O2 — CID 128987454

IUPAC(2S,4S)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)Nc2cnn(C3CCCC3)c2C)N(C)C1
InChIInChI=1S/C16H26N4O2/c1-11-14(9-17-20(11)12-6-4-5-7-12)18-16(21)15-8-13(22-3)10-19(15)2/h9,12-13,15H,4-8,10H2,1-3H3,(H,18,21)/t13-,15-/m0/s1
InChIKeyHYBXZDWZKWAQSW-ZFWWWQNUSA-N
MW306.41 g/mol
LogP1.96
Rot. Bonds4

About (2S,4S)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide

(2S,4S)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide (PubChem CID 128987454) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (2S,4S)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide
PubChem CID128987454
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(2S,4S)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(=O)Nc2cnn(C3CCCC3)c2C)N(C)C1
InChIInChI=1S/C16H26N4O2/c1-11-14(9-17-20(11)12-6-4-5-7-12)18-16(21)15-8-13(22-3)10-19(15)2/h9,12-13,15H,4-8,10H2,1-3H3,(H,18,21)/t13-,15-/m0/s1
InChIKeyHYBXZDWZKWAQSW-ZFWWWQNUSA-N
XLogP1.96
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,4S)-4-methoxy-1-methyl-N-(5-methyl-2-pyridinyl)pyrrolidine-2-carboxamide
CID 128975610
(2S,4S)-4-methoxy-1-methyl-N-(2-phenylpyrimidin-5-yl)pyrrolidine-2-carboxamide
CID 128977951
(2S,4S)-4-methoxy-N-[1-(2-methoxyethyl)pyrazol-4-yl]-1-methylpyrrolidine-2-carboxamide
CID 128979339
(2S,4S)-4-methoxy-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrolidine-2-carboxamide
CID 128987474
4-benzyl-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-1H-pyrrole-3-carboxamide
CID 138023187
(2S,4S)-N-(5-ethyl-3-methyl-1,2-oxazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128985996
(2S,4S)-N-[1-(2-cyanoethyl)-5-methylpyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128986038
(2S,4S)-4-methoxy-1-methyl-N-[5-(trifluoromethylsulfanyl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
CID 138050208
(2S,4S)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 154757173
(2S,4S)-N-[5-(3,5-difluorophenyl)-1H-pyrazol-3-yl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 154757165
(2S,4S)-4-methoxy-1-methyl-N-[2-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 154757211
(2S,4S)-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-methoxy-1-methylpyrrolidine-2-carboxamide
CID 128975644

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide (CID 128987454) is (2S,4S)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(=O)Nc2cnn(C3CCCC3)c2C)N(C)C1.
What is the InChIKey of (2S,4S)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide?
The InChIKey is HYBXZDWZKWAQSW-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11-14(9-17-20(11)12-6-4-5-7-12)18-16(21)15-8-13(22-3)10-19(15)2/h9,12-13,15H,4-8,10H2,1-3H3,(H,18,21)/t13-,15-/m0/s1.
What are the key properties of (2S,4S)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide?
(2S,4S)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide has a molecular weight of 306.41 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(1-cyclopentyl-5-methylpyrazol-4-yl)-4-methoxy-1-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 128987454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).