1-methylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide

C9H14N4O3S — CID 43429790

IUPAC1-methylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H14N4O3S/c1-17(15,16)13-4-2-3-8(13)9(14)12-7-5-10-11-6-7/h5-6,8H,2-4H2,1H3,(H,10,11)(H,12,14)
InChIKeyHUXQOWGQDFUIGS-UHFFFAOYSA-N
MW258.30 g/mol
LogP-0.23
Rot. Bonds3

About 1-methylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide

1-methylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide (PubChem CID 43429790) has the molecular formula C9H14N4O3S and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-methylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
PubChem CID43429790
Molecular FormulaC9H14N4O3S
Molecular Weight258.30 g/mol
Exact Mass258.08
IUPAC Name1-methylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
SMILESCS(=O)(=O)N1CCCC1C(=O)Nc1cn[nH]c1
InChIInChI=1S/C9H14N4O3S/c1-17(15,16)13-4-2-3-8(13)9(14)12-7-5-10-11-6-7/h5-6,8H,2-4H2,1H3,(H,10,11)(H,12,14)
InChIKeyHUXQOWGQDFUIGS-UHFFFAOYSA-N
XLogP-0.23
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-N,2-N-diethyl-1-N-(1H-pyrazol-4-yl)pyrrolidine-1,2-dicarboxamide
CID 95628337
1-methylsulfonyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 110278326
4,4-difluoro-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide;hydrochloride
CID 120348369
4,4-difluoro-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
CID 120348370
N-[1-(2-fluoroethyl)pyrazol-4-yl]-1-methylsulfonylpyrrolidine-2-carboxamide
CID 132300406
N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
CID 20784960
(2R)-1-ethyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
CID 122625521
5-oxo-1-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide
CID 177757968
(2S)-N-(1-methylpyrazol-4-yl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 32608183
(2R)-N-(1-methylpyrazol-4-yl)-1-methylsulfonylpyrrolidine-2-carboxamide
CID 32608187
2-(2-oxopyrrolidin-1-yl)-N-(1H-pyrazol-4-yl)acetamide
CID 43429572
1-(Methylsulfonyl)-N-(1h-pyrazol-4-yl)piperidine-4-carboxamide
CID 43429735

Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-methylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide (CID 43429790) is 1-methylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-methylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide is CS(=O)(=O)N1CCCC1C(=O)Nc1cn[nH]c1.
What is the InChIKey of 1-methylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is HUXQOWGQDFUIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3S/c1-17(15,16)13-4-2-3-8(13)9(14)12-7-5-10-11-6-7/h5-6,8H,2-4H2,1H3,(H,10,11)(H,12,14).
What are the key properties of 1-methylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide?
1-methylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 258.30 g/mol, XLogP of -0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-N-(1H-pyrazol-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 43429790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).