2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide

C16H14ClN5O — CID 71789803

IUPAC2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)c3ccccc3Cl)cn2)n1
InChIInChI=1S/C16H14ClN5O/c1-10-7-11(2)22(21-10)16-18-8-12(9-19-16)20-15(23)13-5-3-4-6-14(13)17/h3-9H,1-2H3,(H,20,23)
InChIKeyYQKCHJLWLPVVSU-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.18
Rot. Bonds3

About 2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide

2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 71789803) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
PubChem CID71789803
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)c3ccccc3Cl)cn2)n1
InChIInChI=1S/C16H14ClN5O/c1-10-7-11(2)22(21-10)16-18-8-12(9-19-16)20-15(23)13-5-3-4-6-14(13)17/h3-9H,1-2H3,(H,20,23)
InChIKeyYQKCHJLWLPVVSU-UHFFFAOYSA-N
XLogP3.18
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,6-dichlorophenyl)-7-{[3-(1H-imidazol-1-yl)propyl]amino}-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328712
6-Chloro-3-(pyrimidin-5-ylamino)-pyridine-2-carboxylic acid (1-methyl-5-methylcarbamoyl-1H-pyrazol-4-yl)-amide
CID 54760195
3-(4-{[(2-Chlorophenyl)carbamoyl]amino}-1h-Pyrazol-1-Yl)-N-(2-Methylpyridin-4-Yl)benzamide
CID 87057579
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[(5-methyl-6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10647621
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10718220
N-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-methylamino]methyl]phenyl]prop-2-enamide
CID 118475617
N-[3-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475621
N-[4-[[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]methyl]phenyl]prop-2-enamide
CID 118475626
2-[[5-chloro-2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731693
2-[[5-chloro-2-[(5-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-yl)amino]-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731711
2-[[5-chloro-2-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylamino)-4-pyridinyl]amino]-N-methoxybenzamide
CID 141731718
2-chloro-N-[3-(2-methylpyrimidin-4-yl)phenyl]benzamide
CID 2819595

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide (CID 71789803) is 2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide is Cc1cc(C)n(-c2ncc(NC(=O)c3ccccc3Cl)cn2)n1.
What is the InChIKey of 2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is YQKCHJLWLPVVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-10-7-11(2)22(21-10)16-18-8-12(9-19-16)20-15(23)13-5-3-4-6-14(13)17/h3-9H,1-2H3,(H,20,23).
What are the key properties of 2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 327.78 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 71789803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).