N-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide

C16H17N7O — CID 165130041

IUPACN-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
SMILESCn1cc(-c2nccc(C(=O)Nc3cnn(C4CCC4)c3)n2)cn1
InChIInChI=1S/C16H17N7O/c1-22-9-11(7-18-22)15-17-6-5-14(21-15)16(24)20-12-8-19-23(10-12)13-3-2-4-13/h5-10,13H,2-4H2,1H3,(H,20,24)
InChIKeyMZWAJULKPFHAGA-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.05
Rot. Bonds4

About N-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide

N-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide (PubChem CID 165130041) has the molecular formula C16H17N7O and a molecular weight of 323.36 g/mol. Its IUPAC name is N-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
PubChem CID165130041
Molecular FormulaC16H17N7O
Molecular Weight323.36 g/mol
Exact Mass323.15
IUPAC NameN-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide
SMILESCn1cc(-c2nccc(C(=O)Nc3cnn(C4CCC4)c3)n2)cn1
InChIInChI=1S/C16H17N7O/c1-22-9-11(7-18-22)15-17-6-5-14(21-15)16(24)20-12-8-19-23(10-12)13-3-2-4-13/h5-10,13H,2-4H2,1H3,(H,20,24)
InChIKeyMZWAJULKPFHAGA-UHFFFAOYSA-N
XLogP2.05
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(Pyrimidin-5-ylamino)-6-pyrrolidin-1-yl-pyrazine-2-carboxylic acid (1-methyl-5-methylcarbamoyl-1H-pyrazol-4-yl)-amide
CID 58548144
US10155765, Example 31
CID 121493987
5-[[(1R,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181626
N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181591
5-(2-aminoethylamino)-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181594
5-[(2-aminocyclopentyl)amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181623
5-[[(1S,2R)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181625
5-[[(1S,2S)-2-aminocyclohexyl]amino]-N-(3-carbamoyl-1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 122181624
2-Cyclobutyl-5-(pyrimidin-5-ylamino)-pyrimidine-4-carboxylic acid (1-methyl-5-methylcarbamoyl-1H-pyrazol-4-yl)-amide
CID 54759839
2-Isobutyl-5-(pyrimidin-5-ylamino)-pyrimidine-4-carboxylic acid (1-methyl-5-methylcarbamoyl-1H-pyrazol-4-yl)-amide
CID 54760943
N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-propan-2-yl-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide
CID 54761467
N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]-2-(2-methylpropyl)-5-(pyrimidin-5-ylamino)pyrimidine-4-carboxamide
CID 54761468

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide (CID 165130041) is N-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide is Cn1cc(-c2nccc(C(=O)Nc3cnn(C4CCC4)c3)n2)cn1.
What is the InChIKey of N-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide?
The InChIKey is MZWAJULKPFHAGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O/c1-22-9-11(7-18-22)15-17-6-5-14(21-15)16(24)20-12-8-19-23(10-12)13-3-2-4-13/h5-10,13H,2-4H2,1H3,(H,20,24).
What are the key properties of N-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide?
N-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide has a molecular weight of 323.36 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylpyrazol-4-yl)-2-(1-methylpyrazol-4-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 165130041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).