N-(1-methylpyrazol-3-yl)-4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide

C17H20N8O — CID 155873094

IUPACN-(1-methylpyrazol-3-yl)-4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCn1ccc(NC(=O)C2(n3cccn3)CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C17H20N8O/c1-23-11-4-14(22-23)21-15(26)17(25-10-3-9-20-25)5-12-24(13-6-17)16-18-7-2-8-19-16/h2-4,7-11H,5-6,12-13H2,1H3,(H,21,22,26)
InChIKeyJGDWDZYIUFOABR-UHFFFAOYSA-N
MW352.40 g/mol
LogP1.04
Rot. Bonds4

About N-(1-methylpyrazol-3-yl)-4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide

N-(1-methylpyrazol-3-yl)-4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide (PubChem CID 155873094) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is N-(1-methylpyrazol-3-yl)-4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methylpyrazol-3-yl)-4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide
PubChem CID155873094
Molecular FormulaC17H20N8O
Molecular Weight352.40 g/mol
Exact Mass352.18
IUPAC NameN-(1-methylpyrazol-3-yl)-4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide
SMILESCn1ccc(NC(=O)C2(n3cccn3)CCN(c3ncccn3)CC2)n1
InChIInChI=1S/C17H20N8O/c1-23-11-4-14(22-23)21-15(26)17(25-10-3-9-20-25)5-12-24(13-6-17)16-18-7-2-8-19-16/h2-4,7-11H,5-6,12-13H2,1H3,(H,21,22,26)
InChIKeyJGDWDZYIUFOABR-UHFFFAOYSA-N
XLogP1.04
TPSA93.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-acetyl-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874120
1-(furan-2-carbonyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874366
formic acid;1-(2-methoxyacetyl)-N-(1-methylpyrazol-3-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874628
formic acid;N-(1-methylpyrazol-3-yl)-1-(2-methylsulfonylacetyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155873780
N-(cyclopropylmethyl)-1-(1-methylpyrazole-3-carbonyl)-4-pyrazol-1-ylpiperidine-4-carboxamide
CID 155874619
(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770499
4-pyrazol-1-yl-N-(1-pyridin-4-ylpyrazol-3-yl)piperidine-4-carboxamide
CID 120941273
N-(1-methylpyrazol-4-yl)-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
CID 120925026
(4-pyrazol-1-ylpiperidin-4-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 120937777
1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 61461821
formic acid;4-imidazol-1-yl-N-(1-methylpyrazol-3-yl)-1-(thiophene-2-carbonyl)piperidine-4-carboxamide
CID 155879093
4-pyrazol-1-yl-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperidine-4-carboxamide;dihydrochloride
CID 120939658

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-3-yl)-4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(1-methylpyrazol-3-yl)-4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide (CID 155873094) is N-(1-methylpyrazol-3-yl)-4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(1-methylpyrazol-3-yl)-4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(1-methylpyrazol-3-yl)-4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide is Cn1ccc(NC(=O)C2(n3cccn3)CCN(c3ncccn3)CC2)n1.
What is the InChIKey of N-(1-methylpyrazol-3-yl)-4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
The InChIKey is JGDWDZYIUFOABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-23-11-4-14(22-23)21-15(26)17(25-10-3-9-20-25)5-12-24(13-6-17)16-18-7-2-8-19-16/h2-4,7-11H,5-6,12-13H2,1H3,(H,21,22,26).
What are the key properties of N-(1-methylpyrazol-3-yl)-4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide?
N-(1-methylpyrazol-3-yl)-4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-3-yl)-4-pyrazol-1-yl-1-pyrimidin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 155873094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).