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

C17H16ClN5O2 — CID 71789814

IUPAC5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cnc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C17H16ClN5O2/c1-10-6-11(2)23(22-10)17-19-8-13(9-20-17)21-16(24)14-7-12(18)4-5-15(14)25-3/h4-9H,1-3H3,(H,21,24)
InChIKeyQDCCBJCZTOITHA-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.19
Rot. Bonds4

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

5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxybenzamide (PubChem CID 71789814) has the molecular formula C17H16ClN5O2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxybenzamide
PubChem CID71789814
Molecular FormulaC17H16ClN5O2
Molecular Weight357.80 g/mol
Exact Mass357.10
IUPAC Name5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxybenzamide
SMILESCOc1ccc(Cl)cc1C(=O)Nc1cnc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C17H16ClN5O2/c1-10-6-11(2)23(22-10)17-19-8-13(9-20-17)21-16(24)14-7-12(18)4-5-15(14)25-3/h4-9H,1-3H3,(H,21,24)
InChIKeyQDCCBJCZTOITHA-UHFFFAOYSA-N
XLogP3.19
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 121112477
5-chloro-2-methoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53164660
2-(4-chlorophenyl)-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]acetamide
CID 71789815
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxypyridine-4-carboxamide
CID 122300568
4-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-fluorobenzamide
CID 31908543
5-chloro-2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide
CID 108756608
4-bromo-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]benzamide
CID 122300583
5-chloro-N-(3,4-difluorophenyl)-2-methoxybenzamide
CID 842280
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]propanamide
CID 121112452
N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide
CID 122300559
N-(3-amino-4-methoxyphenyl)-5-chloro-2-methoxybenzamide
CID 43599928
5-chloro-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 762528

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxybenzamide (CID 71789814) is 5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxybenzamide is COc1ccc(Cl)cc1C(=O)Nc1cnc(-n2nc(C)cc2C)nc1.
What is the InChIKey of 5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxybenzamide?
The InChIKey is QDCCBJCZTOITHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O2/c1-10-6-11(2)23(22-10)17-19-8-13(9-20-17)21-16(24)14-7-12(18)4-5-15(14)25-3/h4-9H,1-3H3,(H,21,24).
What are the key properties of 5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxybenzamide?
5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxybenzamide has a molecular weight of 357.80 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3,5-dimethylpyrazol-1-yl)pyrimidin-5-yl]-2-methoxybenzamide is sourced from PubChem (CID 71789814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).