(4-chloro-1-methylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C16H19ClN4O2 — CID 6469727

IUPAC(4-chloro-1-methylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3c(Cl)cnn3C)CC2)cc1
InChIInChI=1S/C16H19ClN4O2/c1-19-15(14(17)11-18-19)16(22)21-9-7-20(8-10-21)12-3-5-13(23-2)6-4-12/h3-6,11H,7-10H2,1-2H3
InChIKeySBLMLAWAXVQANP-UHFFFAOYSA-N
MW334.81 g/mol
LogP2.04
Rot. Bonds3

About (4-chloro-1-methylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

(4-chloro-1-methylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 6469727) has the molecular formula C16H19ClN4O2 and a molecular weight of 334.81 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID6469727
Molecular FormulaC16H19ClN4O2
Molecular Weight334.81 g/mol
Exact Mass334.12
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(N2CCN(C(=O)c3c(Cl)cnn3C)CC2)cc1
InChIInChI=1S/C16H19ClN4O2/c1-19-15(14(17)11-18-19)16(22)21-9-7-20(8-10-21)12-3-5-13(23-2)6-4-12/h3-6,11H,7-10H2,1-2H3
InChIKeySBLMLAWAXVQANP-UHFFFAOYSA-N
XLogP2.04
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.81
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-ethyl-N-(2-methoxy-5-nitrophenyl)pyrazole-3-carboxamide
CID 831843
1-{3-[(4-chloro-1H-pyrazol-1-yl)methyl]benzoyl}-4-(4-methoxyphenyl)piperazine
CID 1314825
4-Chloro-N-(3,4-dimethoxyphenyl)-1-ethyl-1H-pyrazole-3-carboxamide
CID 1511740
4-chloro-N-(4-methoxy-2-methylphenyl)-2-methylpyrazole-3-carboxamide
CID 1223840
4-Amino-2-methyl-2H-pyrazole-3-carboxylic acid (4-methoxy-phenyl)-amide
CID 913152
5-(3-Fluorophenyl)-2-(((4-methoxyphenyl)(methyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575014
5-(4-Fluorophenyl)-2-(((4-methoxyphenyl)(methyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575148
5-(2-Fluorophenyl)-2-(((4-methoxyphenyl)(methyl)amino)methyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5h)-one
CID 118575193
US10023559, Example 21
CID 118903535
4-chloro-N-[2-(4-methoxyphenyl)ethyl]-1-methylpyrazole-3-carboxamide
CID 891955
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-methylpyrazole-3-carboxamide
CID 47084046
2-(4-Chloro-5-methyl-3-trifluoromethyl-pyrazol-1-yl)-1-[4-(4-methoxyphenyl)-piperazin-1-yl]-ethanone
CID 21071096

Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 6469727) is (4-chloro-1-methylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(N2CCN(C(=O)c3c(Cl)cnn3C)CC2)cc1.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is SBLMLAWAXVQANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2/c1-19-15(14(17)11-18-19)16(22)21-9-7-20(8-10-21)12-3-5-13(23-2)6-4-12/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
(4-chloro-1-methylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 334.81 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 6469727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).