(4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone

C22H21ClN4O3 — CID 20910976

IUPAC(4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4)CC3)[nH]n2)cc1
InChIInChI=1S/C22H21ClN4O3/c1-30-18-8-4-15(5-9-18)19-14-20(25-24-19)22(29)27-12-10-26(11-13-27)21(28)16-2-6-17(23)7-3-16/h2-9,14H,10-13H2,1H3,(H,24,25)
InChIKeyBGJKIOJLYXWSQD-UHFFFAOYSA-N
MW424.89 g/mol
LogP3.34
Rot. Bonds4

About (4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone

(4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone (PubChem CID 20910976) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
PubChem CID20910976
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC Name(4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4)CC3)[nH]n2)cc1
InChIInChI=1S/C22H21ClN4O3/c1-30-18-8-4-15(5-9-18)19-14-20(25-24-19)22(29)27-12-10-26(11-13-27)21(28)16-2-6-17(23)7-3-16/h2-9,14H,10-13H2,1H3,(H,24,25)
InChIKeyBGJKIOJLYXWSQD-UHFFFAOYSA-N
XLogP3.34
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-chlorophenyl)-[4-[3-(3-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone
CID 20910980
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-methylpiperidin-1-yl)methanone
CID 20864968
[4-(4-methoxyphenyl)piperazin-1-yl]-[3-(4-methylphenyl)-1H-pyrazol-5-yl]methanone
CID 51046465
[3-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-methoxypiperidin-1-yl)methanone
CID 56810856
[4-(4-chlorophenyl)piperazin-1-yl]-[3-(3-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 20906504
N'-[1-(4-chlorophenyl)ethenyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 2068775
[4-(cyclopentylmethyl)piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 70780803
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 20953309
[4-(2,3-dimethylphenyl)piperazin-1-yl]-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 20953310
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-(3-methyl-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl)methanone
CID 70733420
[4-(4-chlorophenoxy)piperidin-1-yl]-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 166338976
[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 46275255

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone (CID 20910976) is (4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone is COc1ccc(-c2cc(C(=O)N3CCN(C(=O)c4ccc(Cl)cc4)CC3)[nH]n2)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone?
The InChIKey is BGJKIOJLYXWSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c1-30-18-8-4-15(5-9-18)19-14-20(25-24-19)22(29)27-12-10-26(11-13-27)21(28)16-2-6-17(23)7-3-16/h2-9,14H,10-13H2,1H3,(H,24,25).
What are the key properties of (4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone?
(4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone has a molecular weight of 424.89 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-[3-(4-methoxyphenyl)-1H-pyrazole-5-carbonyl]piperazin-1-yl]methanone is sourced from PubChem (CID 20910976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).