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

C16H14ClN5O — CID 121112477

IUPAC3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)c3cccc(Cl)c3)cn2)n1
InChIInChI=1S/C16H14ClN5O/c1-10-6-11(2)22(21-10)16-18-8-14(9-19-16)20-15(23)12-4-3-5-13(17)7-12/h3-9H,1-2H3,(H,20,23)
InChIKeyLTIRSZLCPAQVLY-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.18
Rot. Bonds3

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

3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 121112477) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
PubChem CID121112477
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
SMILESCc1cc(C)n(-c2ncc(NC(=O)c3cccc(Cl)c3)cn2)n1
InChIInChI=1S/C16H14ClN5O/c1-10-6-11(2)22(21-10)16-18-8-14(9-19-16)20-15(23)12-4-3-5-13(17)7-12/h3-9H,1-2H3,(H,20,23)
InChIKeyLTIRSZLCPAQVLY-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

4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300583
5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxybenzamide
CID 71789814
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-4-thiophen-2-ylbenzamide
CID 122300522
3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide
CID 31923949
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide
CID 122300559
3-chloro-N-(4-methylphenyl)benzamide
CID 722375
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
CID 121112452
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide
CID 46431681
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]cyclopropanecarboxamide
CID 122300412
N-(3-acetamidophenyl)-3-chlorobenzamide
CID 669190
3-chloro-N-[6-(2,4-dimethylanilino)-3-pyridinyl]benzamide
CID 113016786
N-(6-amino-3-pyridinyl)-3-chlorobenzamide
CID 62899569

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide (CID 121112477) is 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide is Cc1cc(C)n(-c2ncc(NC(=O)c3cccc(Cl)c3)cn2)n1.
What is the InChIKey of 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is LTIRSZLCPAQVLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-10-6-11(2)22(21-10)16-18-8-14(9-19-16)20-15(23)12-4-3-5-13(17)7-12/h3-9H,1-2H3,(H,20,23).
What are the key properties of 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide?
3-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 3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 121112477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).