(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone

C16H19ClN4O — CID 2324649

IUPAC(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN(C)CC1
InChIInChI=1S/C16H19ClN4O/c1-12-14(16(22)20-10-8-19(2)9-11-20)15(17)21(18-12)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3
InChIKeyQKLLIUOUWTUSPT-UHFFFAOYSA-N
MW318.81 g/mol
LogP2.22
Rot. Bonds2

About (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone

(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone (PubChem CID 2324649) has the molecular formula C16H19ClN4O and a molecular weight of 318.81 g/mol. Its IUPAC name is (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone
PubChem CID2324649
Molecular FormulaC16H19ClN4O
Molecular Weight318.81 g/mol
Exact Mass318.12
IUPAC Name(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone
SMILESCc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN(C)CC1
InChIInChI=1S/C16H19ClN4O/c1-12-14(16(22)20-10-8-19(2)9-11-20)15(17)21(18-12)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3
InChIKeyQKLLIUOUWTUSPT-UHFFFAOYSA-N
XLogP2.22
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.81
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Xrp44X
CID 10339779
5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 613027
N-(2-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850671
N-(4-chlorophenyl)-N,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 850684
5-chloro-N-[2-(dimethylamino)ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
CID 2324595
N,3,5-trimethyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-4-carboxamide
CID 9466971
N-[2-(4-acetamidoanilino)-2-oxoethyl]-5-chloro-N-ethyl-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 16292836
5-chloro-3-methyl-1-phenyl-N-(2-phenylpropyl)pyrazole-4-carboxamide
CID 16294262
[(5-Chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-amino]-acetic acid
CID 647138
5-chloro-3-methyl-N-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 678574
5-chloro-3-methyl-N-(3-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 3132709
5-chloro-N-cyclohexyl-3-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 728653

Frequently Asked Questions

What is the IUPAC name of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone (CID 2324649) is (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone is Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCN(C)CC1.
What is the InChIKey of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone?
The InChIKey is QKLLIUOUWTUSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O/c1-12-14(16(22)20-10-8-19(2)9-11-20)15(17)21(18-12)13-6-4-3-5-7-13/h3-7H,8-11H2,1-2H3.
What are the key properties of (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone?
(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone has a molecular weight of 318.81 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-3-methyl-1-phenylpyrazol-4-yl)-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 2324649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).