5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide

C17H16ClN5O — CID 155964290

IUPAC5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1cnc(CNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)nc1
InChIInChI=1S/C17H16ClN5O/c1-11-8-19-14(20-9-11)10-21-17(24)15-12(2)22-23(16(15)18)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,21,24)
InChIKeyWWBRNXYTNLISCA-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.86
Rot. Bonds4

About 5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide

5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 155964290) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID155964290
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1cnc(CNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)nc1
InChIInChI=1S/C17H16ClN5O/c1-11-8-19-14(20-9-11)10-21-17(24)15-12(2)22-23(16(15)18)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,21,24)
InChIKeyWWBRNXYTNLISCA-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-[[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]methyl]benzoate
CID 46601601
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5-chloro-N-[4-(4-ethylpiperazin-1-yl)butyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 78871175
5-chloro-3-methyl-1-phenyl-N-[2-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
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5-chloro-3-methyl-N-(3-morpholin-4-ylpropyl)-1-phenylpyrazole-4-carboxamide
CID 51155914
(2R)-2-[(5-chloro-3-methyl-1-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 91645010
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
5-chloro-N-(2-hydroxy-2,3-dimethylpentyl)-3-methyl-1-phenylpyrazole-4-carboxamide
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5-chloro-N-[2-(dimethylamino)-3-phenylpropyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 51150469
5-chloro-3-methyl-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenylpyrazole-4-carboxamide
CID 27812683
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
5-chloro-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-methyl-1-phenylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide (CID 155964290) is 5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide is Cc1cnc(CNC(=O)c2c(C)nn(-c3ccccc3)c2Cl)nc1.
What is the InChIKey of 5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is WWBRNXYTNLISCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-11-8-19-14(20-9-11)10-21-17(24)15-12(2)22-23(16(15)18)13-6-4-3-5-7-13/h3-9H,10H2,1-2H3,(H,21,24).
What are the key properties of 5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide?
5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 341.80 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-methyl-N-[(5-methylpyrimidin-2-yl)methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 155964290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).