2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide

C17H16ClN5O — CID 71789815

IUPAC2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)Cc3ccc(Cl)cc3)cn2)n1
InChIInChI=1S/C17H16ClN5O/c1-11-7-12(2)23(22-11)17-19-9-15(10-20-17)21-16(24)8-13-3-5-14(18)6-4-13/h3-7,9-10H,8H2,1-2H3,(H,21,24)
InChIKeyKMGAIGCTARRPQF-UHFFFAOYSA-N
MW341.80 g/mol
LogP3.11
Rot. Bonds4

About 2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide

2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide (PubChem CID 71789815) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
PubChem CID71789815
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)Cc3ccc(Cl)cc3)cn2)n1
InChIInChI=1S/C17H16ClN5O/c1-11-7-12(2)23(22-11)17-19-9-15(10-20-17)21-16(24)8-13-3-5-14(18)6-4-13/h3-7,9-10H,8H2,1-2H3,(H,21,24)
InChIKeyKMGAIGCTARRPQF-UHFFFAOYSA-N
XLogP3.11
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 122300477
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
CID 121112452
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-3,3,3-trifluoropropanamide
CID 122300554
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(1-methylindol-3-yl)acetamide
CID 122300536
3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112477
5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxybenzamide
CID 71789814
2-(4-chlorophenyl)-N-[4-[6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]oxyphenyl]acetamide
CID 122311512
2-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 122300441
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-(4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 122300571
1-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-5-oxopyrrolidine-3-carboxamide
CID 122300462
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide
CID 122300412
4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300583

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide (CID 71789815) is 2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide is Cc1cc(C)n(-c2ncc(NC(=O)Cc3ccc(Cl)cc3)cn2)n1.
What is the InChIKey of 2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
The InChIKey is KMGAIGCTARRPQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-11-7-12(2)23(22-11)17-19-9-15(10-20-17)21-16(24)8-13-3-5-14(18)6-4-13/h3-7,9-10H,8H2,1-2H3,(H,21,24).
What are the key properties of 2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide?
2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide has a molecular weight of 341.80 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide is sourced from PubChem (CID 71789815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).