(4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone

C21H22ClN5O — CID 145316030

IUPAC(4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone
SMILESNc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3Cl)CC2)c1
InChIInChI=1S/C21H22ClN5O/c22-20-12-17(16-4-2-1-3-5-16)6-7-18(20)14-25-8-10-26(11-9-25)21(28)27-15-19(23)13-24-27/h1-7,12-13,15H,8-11,14,23H2
InChIKeyYDXQQBHQNPHOIK-UHFFFAOYSA-N
MW395.89 g/mol
LogP3.57
Rot. Bonds3

About (4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone

(4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone (PubChem CID 145316030) has the molecular formula C21H22ClN5O and a molecular weight of 395.89 g/mol. Its IUPAC name is (4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone
PubChem CID145316030
Molecular FormulaC21H22ClN5O
Molecular Weight395.89 g/mol
Exact Mass395.15
IUPAC Name(4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone
SMILESNc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3Cl)CC2)c1
InChIInChI=1S/C21H22ClN5O/c22-20-12-17(16-4-2-1-3-5-16)6-7-18(20)14-25-8-10-26(11-9-25)21(28)27-15-19(23)13-24-27/h1-7,12-13,15H,8-11,14,23H2
InChIKeyYDXQQBHQNPHOIK-UHFFFAOYSA-N
XLogP3.57
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-[4-[(2-methyl-4-phenylphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]-morpholin-4-ylmethanone
CID 118526544
[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]-[3-[(methyl-methylidene-oxo-λ6-sulfanyl)amino]pyrazol-1-yl]methanone
CID 157089977
(4-aminopyrazol-1-yl)-[4-[(4-ethynylphenyl)methyl]piperazin-1-yl]methanone
CID 145315981
(4-aminopyrazol-1-yl)-[4-[[4-(1,3-benzothiazol-2-yl)-2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone;ethane
CID 145316171
(4-aminopyrazol-1-yl)-[4-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 145316065
N-[1-[4-[(4-phenyl-2-phenylmethoxyphenyl)methyl]piperazine-1-carbonyl]pyrazol-4-yl]methanesulfonamide
CID 135375793
(4-chloropyrazol-1-yl)-[4-[(4-chloro-2-pyrrolidin-1-ylphenyl)methyl]piperazin-1-yl]methanone
CID 118526712
[1-[cyclopropylidene-[4-[(2-methyl-4-phenylphenyl)methyl]piperazin-1-yl]methyl]pyrazol-4-yl]-piperidin-1-ylmethanone
CID 144965086
(4-methylpyrazol-1-yl)-[4-[(4-phenoxyphenyl)methyl]piperazin-1-yl]methanone
CID 118526605
(4-chloropyrazol-1-yl)-[4-[[4-(morpholin-4-ylmethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 118526524
[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-(4-methylpyrazol-1-yl)methanone
CID 130187615
(4-methylpyrazol-1-yl)-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 130187640

Frequently Asked Questions

What is the IUPAC name of (4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone?
The IUPAC name of (4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone (CID 145316030) is (4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone is Nc1cnn(C(=O)N2CCN(Cc3ccc(-c4ccccc4)cc3Cl)CC2)c1.
What is the InChIKey of (4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone?
The InChIKey is YDXQQBHQNPHOIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O/c22-20-12-17(16-4-2-1-3-5-16)6-7-18(20)14-25-8-10-26(11-9-25)21(28)27-15-19(23)13-24-27/h1-7,12-13,15H,8-11,14,23H2.
What are the key properties of (4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone?
(4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone has a molecular weight of 395.89 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminopyrazol-1-yl)-[4-[(2-chloro-4-phenylphenyl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 145316030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).