N-(5-methyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

C13H16N6O — CID 63818386

IUPACN-(5-methyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCN2c2ncccn2)n[nH]1
InChIInChI=1S/C13H16N6O/c1-9-8-11(18-17-9)16-12(20)10-4-2-7-19(10)13-14-5-3-6-15-13/h3,5-6,8,10H,2,4,7H2,1H3,(H2,16,17,18,20)
InChIKeyFLAMYZXREVFZJT-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.12
Rot. Bonds3

About N-(5-methyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide

N-(5-methyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (PubChem CID 63818386) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is N-(5-methyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
PubChem CID63818386
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC NameN-(5-methyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCN2c2ncccn2)n[nH]1
InChIInChI=1S/C13H16N6O/c1-9-8-11(18-17-9)16-12(20)10-4-2-7-19(10)13-14-5-3-6-15-13/h3,5-6,8,10H,2,4,7H2,1H3,(H2,16,17,18,20)
InChIKeyFLAMYZXREVFZJT-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-methyl-1H-pyrazol-3-yl)cyclooctanecarboxamide
CID 65022914
1-acetyl-N-(5-methyl-1H-pyrazol-3-yl)piperidine-4-carboxamide
CID 60973723
(2R)-2-[(1-pyrimidin-2-ylpyrrolidine-2-carbonyl)amino]propanoic acid
CID 54991238
(2R)-1-pyrimidin-2-yl-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 95302854
N-cyclopentyloxy-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 83216321
1-[4-[(5-methyl-1H-pyrazol-3-yl)amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl]pyrrolidine-2-carboxylic acid
CID 90246947
N-(4-hydroxy-3-methylbutan-2-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 115770837
N-(cyanomethyl)-1-pyrimidin-2-ylpiperidine-2-carboxamide
CID 138041639
N-(5-methyl-1H-pyrazol-3-yl)-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 107127185
1-(2,2-dimethylpropanoyl)-N-(5-ethyl-1H-pyrazol-3-yl)pyrrolidine-2-carboxamide
CID 115609289
(2S)-N-[(1S)-1-(3,4-difluorophenyl)ethyl]-1-pyrimidin-2-ylpyrrolidine-2-carboxamide
CID 96565850
tert-butyl 3-[(5-methyl-1H-pyrazol-3-yl)carbamoyl]piperidine-1-carboxylate
CID 84554290

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(5-methyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide (CID 63818386) is N-(5-methyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(5-methyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(5-methyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is Cc1cc(NC(=O)C2CCCN2c2ncccn2)n[nH]1.
What is the InChIKey of N-(5-methyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is FLAMYZXREVFZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-9-8-11(18-17-9)16-12(20)10-4-2-7-19(10)13-14-5-3-6-15-13/h3,5-6,8,10H,2,4,7H2,1H3,(H2,16,17,18,20).
What are the key properties of N-(5-methyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide?
N-(5-methyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1H-pyrazol-3-yl)-1-pyrimidin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 63818386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).