N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide

C17H14N8O — CID 134450315

IUPACN-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide
SMILESCn1cc(NC(=O)c2ccnc(-c3cn[nH]c3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C17H14N8O/c1-25-10-14(15(24-25)12-4-2-3-6-18-12)23-17(26)13-5-7-19-16(22-13)11-8-20-21-9-11/h2-10H,1H3,(H,20,21)(H,23,26)
InChIKeyCUXOCWJQNNLPBW-UHFFFAOYSA-N
MW346.35 g/mol
LogP1.91
Rot. Bonds4

About N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide

N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide (PubChem CID 134450315) has the molecular formula C17H14N8O and a molecular weight of 346.35 g/mol. Its IUPAC name is N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide
PubChem CID134450315
Molecular FormulaC17H14N8O
Molecular Weight346.35 g/mol
Exact Mass346.13
IUPAC NameN-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide
SMILESCn1cc(NC(=O)c2ccnc(-c3cn[nH]c3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C17H14N8O/c1-25-10-14(15(24-25)12-4-2-3-6-18-12)23-17(26)13-5-7-19-16(22-13)11-8-20-21-9-11/h2-10H,1H3,(H,20,21)(H,23,26)
InChIKeyCUXOCWJQNNLPBW-UHFFFAOYSA-N
XLogP1.91
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.35
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide (CID 134450315) is N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide is Cn1cc(NC(=O)c2ccnc(-c3cn[nH]c3)n2)c(-c2ccccn2)n1.
What is the InChIKey of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide?
The InChIKey is CUXOCWJQNNLPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N8O/c1-25-10-14(15(24-25)12-4-2-3-6-18-12)23-17(26)13-5-7-19-16(22-13)11-8-20-21-9-11/h2-10H,1H3,(H,20,21)(H,23,26).
What are the key properties of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide?
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide has a molecular weight of 346.35 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-2-(1H-pyrazol-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 134450315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).