N-methyl-5-(1-pyrimidin-2-ylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide

C13H16N6O — CID 110254105

IUPACN-methyl-5-(1-pyrimidin-2-ylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1CCCN1c1ncccn1
InChIInChI=1S/C13H16N6O/c1-14-12(20)9-8-17-18-11(9)10-4-2-7-19(10)13-15-5-3-6-16-13/h3,5-6,8,10H,2,4,7H2,1H3,(H,14,20)(H,17,18)
InChIKeyBJSPWYGATXAWQA-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.90
Rot. Bonds3

About N-methyl-5-(1-pyrimidin-2-ylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide

N-methyl-5-(1-pyrimidin-2-ylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide (PubChem CID 110254105) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-methyl-5-(1-pyrimidin-2-ylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(1-pyrimidin-2-ylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide
PubChem CID110254105
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-methyl-5-(1-pyrimidin-2-ylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide
SMILESCNC(=O)c1cn[nH]c1C1CCCN1c1ncccn1
InChIInChI=1S/C13H16N6O/c1-14-12(20)9-8-17-18-11(9)10-4-2-7-19(10)13-15-5-3-6-16-13/h3,5-6,8,10H,2,4,7H2,1H3,(H,14,20)(H,17,18)
InChIKeyBJSPWYGATXAWQA-UHFFFAOYSA-N
XLogP0.90
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(1-pyrimidin-2-ylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-methyl-5-(1-pyrimidin-2-ylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide (CID 110254105) is N-methyl-5-(1-pyrimidin-2-ylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-methyl-5-(1-pyrimidin-2-ylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-methyl-5-(1-pyrimidin-2-ylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide is CNC(=O)c1cn[nH]c1C1CCCN1c1ncccn1.
What is the InChIKey of N-methyl-5-(1-pyrimidin-2-ylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is BJSPWYGATXAWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-14-12(20)9-8-17-18-11(9)10-4-2-7-19(10)13-15-5-3-6-16-13/h3,5-6,8,10H,2,4,7H2,1H3,(H,14,20)(H,17,18).
What are the key properties of N-methyl-5-(1-pyrimidin-2-ylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide?
N-methyl-5-(1-pyrimidin-2-ylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 0.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(1-pyrimidin-2-ylpyrrolidin-2-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 110254105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).