2-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-4-carboxamide

C17H22N6O — CID 167838097

IUPAC2-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-4-carboxamide
SMILESCN1CCC(n2cc(NC(=O)c3ccnc(C4CC4)n3)cn2)CC1
InChIInChI=1S/C17H22N6O/c1-22-8-5-14(6-9-22)23-11-13(10-19-23)20-17(24)15-4-7-18-16(21-15)12-2-3-12/h4,7,10-12,14H,2-3,5-6,8-9H2,1H3,(H,20,24)
InChIKeyNEFBMBURDHJSRW-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.07
Rot. Bonds4

About 2-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-4-carboxamide

2-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-4-carboxamide (PubChem CID 167838097) has the molecular formula C17H22N6O and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-4-carboxamide
PubChem CID167838097
Molecular FormulaC17H22N6O
Molecular Weight326.40 g/mol
Exact Mass326.19
IUPAC Name2-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-4-carboxamide
SMILESCN1CCC(n2cc(NC(=O)c3ccnc(C4CC4)n3)cn2)CC1
InChIInChI=1S/C17H22N6O/c1-22-8-5-14(6-9-22)23-11-13(10-19-23)20-17(24)15-4-7-18-16(21-15)12-2-3-12/h4,7,10-12,14H,2-3,5-6,8-9H2,1H3,(H,20,24)
InChIKeyNEFBMBURDHJSRW-UHFFFAOYSA-N
XLogP2.07
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,6-dimethyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyridine-2-carboxamide
CID 167934182
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 167966444
2-(5-cyclopropyl-2-methyl-1,2,4-triazol-3-yl)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]acetamide
CID 167752647
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-1-phenyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 167802741
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]bicyclo[3.1.0]hexane-6-carboxamide
CID 167939021
N-[1-(1-chloropiperidin-4-yl)pyrazol-4-yl]acetamide
CID 130377121
1,2-dimethyl-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine
CID 154930834
trans-(1R,2R)-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
CID 167979791
N-(1-cyclobutylpyrazol-4-yl)-6-propan-2-yloxypyridine-2-carboxamide
CID 165130046
N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-azaspiro[3.4]octane-3-carboxamide
CID 138010977
2-methyl-1-methylidene-3-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]guanidine
CID 154930981
5-chloro-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidin-2-amine
CID 172824528

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-4-carboxamide?
The IUPAC name of 2-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-4-carboxamide (CID 167838097) is 2-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-4-carboxamide is CN1CCC(n2cc(NC(=O)c3ccnc(C4CC4)n3)cn2)CC1.
What is the InChIKey of 2-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-4-carboxamide?
The InChIKey is NEFBMBURDHJSRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O/c1-22-8-5-14(6-9-22)23-11-13(10-19-23)20-17(24)15-4-7-18-16(21-15)12-2-3-12/h4,7,10-12,14H,2-3,5-6,8-9H2,1H3,(H,20,24).
What are the key properties of 2-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-4-carboxamide?
2-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-4-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 167838097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).