5-[(2S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide

C13H16N6O2 — CID 95848436

IUPAC5-[(2S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCn1ccc(C(=O)N2CCC[C@H]2c2[nH]ncc2C(N)=O)n1
InChIInChI=1S/C13H16N6O2/c1-18-6-4-9(17-18)13(21)19-5-2-3-10(19)11-8(12(14)20)7-15-16-11/h4,6-7,10H,2-3,5H2,1H3,(H2,14,20)(H,15,16)/t10-/m0/s1
InChIKeyVAGAVPHYKDMLAR-JTQLQIEISA-N
MW288.31 g/mol
LogP0.22
Rot. Bonds3

About 5-[(2S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide

5-[(2S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 95848436) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 5-[(2S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[(2S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID95848436
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name5-[(2S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
SMILESCn1ccc(C(=O)N2CCC[C@H]2c2[nH]ncc2C(N)=O)n1
InChIInChI=1S/C13H16N6O2/c1-18-6-4-9(17-18)13(21)19-5-2-3-10(19)11-8(12(14)20)7-15-16-11/h4,6-7,10H,2-3,5H2,1H3,(H2,14,20)(H,15,16)/t10-/m0/s1
InChIKeyVAGAVPHYKDMLAR-JTQLQIEISA-N
XLogP0.22
TPSA109.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylpyrazol-3-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95824417
(1-methylpyrazol-3-yl)-[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methanone
CID 93044057
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 50747341
[(2S)-2-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95824426
1-(1-methylpyrazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 103116373
N-methyl-5-[1-(pyrazine-2-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide
CID 110272277
[(2R)-2-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 124986227
[2-(2-hydroxycyclohexyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103120402
(1-methylpyrazol-4-yl)-[(2R)-2-(4-methyl-1H-pyrazol-5-yl)pyrrolidin-1-yl]methanone
CID 95824584
(2S)-1-(1-methylpyrazole-3-carbonyl)piperidine-2-carboxylic acid
CID 103116969
[2-(methylaminomethyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 103121048
5-[1-(2-aminoacetyl)pyrrolidin-2-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 110272256

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[(2S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide (CID 95848436) is 5-[(2S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[(2S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[(2S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide is Cn1ccc(C(=O)N2CCC[C@H]2c2[nH]ncc2C(N)=O)n1.
What is the InChIKey of 5-[(2S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is VAGAVPHYKDMLAR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N6O2/c1-18-6-4-9(17-18)13(21)19-5-2-3-10(19)11-8(12(14)20)7-15-16-11/h4,6-7,10H,2-3,5H2,1H3,(H2,14,20)(H,15,16)/t10-/m0/s1.
What are the key properties of 5-[(2S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide?
5-[(2S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-(1-methylpyrazole-3-carbonyl)pyrrolidin-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95848436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).