1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide

C9H14N4O — CID 103120955

IUPAC1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N[C@H]2CCNC2)n1
InChIInChI=1S/C9H14N4O/c1-13-5-3-8(12-13)9(14)11-7-2-4-10-6-7/h3,5,7,10H,2,4,6H2,1H3,(H,11,14)/t7-/m0/s1
InChIKeyWOQPNMZVUXWCBT-ZETCQYMHSA-N
MW194.24 g/mol
LogP-0.49
Rot. Bonds2

About 1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide

1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide (PubChem CID 103120955) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide
PubChem CID103120955
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide
SMILESCn1ccc(C(=O)N[C@H]2CCNC2)n1
InChIInChI=1S/C9H14N4O/c1-13-5-3-8(12-13)9(14)11-7-2-4-10-6-7/h3,5,7,10H,2,4,6H2,1H3,(H,11,14)/t7-/m0/s1
InChIKeyWOQPNMZVUXWCBT-ZETCQYMHSA-N
XLogP-0.49
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(3S)-oxolan-3-yl]pyrazole-3-carboxamide
CID 168910444
1-methyl-N-[(4-methylpiperidin-3-yl)methyl]pyrazole-3-carboxamide
CID 103117492
N-(3,3-dimethylcyclopentyl)-1-methylpyrazole-3-carboxamide
CID 103885164
1,5-dimethyl-N-pyrrolidin-3-ylpyrazole-3-carboxamide;hydrochloride
CID 119451610
1-methyl-N-pyrrolidin-3-ylpyrrole-3-carboxamide
CID 83619398
N,1-dimethyl-N-piperidin-4-ylpyrazole-3-carboxamide
CID 103120629
tert-butyl N-[3-[(1-methylpyrazole-3-carbonyl)amino]cyclopentyl]carbamate
CID 169248595
N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 62378974
N-[(3R)-pyrrolidin-3-yl]-1,2,5-thiadiazole-3-carboxamide
CID 79685297
6-methyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119451522
N-[1-(5-bromopyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993726
N-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]-1-methylpyrazole-3-carboxamide
CID 171993467

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of 1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide (CID 103120955) is 1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for 1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide is Cn1ccc(C(=O)N[C@H]2CCNC2)n1.
What is the InChIKey of 1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is WOQPNMZVUXWCBT-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N4O/c1-13-5-3-8(12-13)9(14)11-7-2-4-10-6-7/h3,5,7,10H,2,4,6H2,1H3,(H,11,14)/t7-/m0/s1.
What are the key properties of 1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide?
1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 194.24 g/mol, XLogP of -0.49, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3S)-pyrrolidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 103120955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).