[4-amino-2-(3-methylpyrazol-1-yl)phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone

C22H25N5O — CID 157036251

IUPAC[4-amino-2-(3-methylpyrazol-1-yl)phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCc1ccn(-c2cc(N)ccc2C(=O)N2CCN(C)CC2c2ccccc2)n1
InChIInChI=1S/C22H25N5O/c1-16-10-11-27(24-16)20-14-18(23)8-9-19(20)22(28)26-13-12-25(2)15-21(26)17-6-4-3-5-7-17/h3-11,14,21H,12-13,15,23H2,1-2H3
InChIKeyVEKKVANFXNGLMT-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.89
Rot. Bonds3

About [4-amino-2-(3-methylpyrazol-1-yl)phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone

[4-amino-2-(3-methylpyrazol-1-yl)phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone (PubChem CID 157036251) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is [4-amino-2-(3-methylpyrazol-1-yl)phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-amino-2-(3-methylpyrazol-1-yl)phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone
PubChem CID157036251
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name[4-amino-2-(3-methylpyrazol-1-yl)phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCc1ccn(-c2cc(N)ccc2C(=O)N2CCN(C)CC2c2ccccc2)n1
InChIInChI=1S/C22H25N5O/c1-16-10-11-27(24-16)20-14-18(23)8-9-19(20)22(28)26-13-12-25(2)15-21(26)17-6-4-3-5-7-17/h3-11,14,21H,12-13,15,23H2,1-2H3
InChIKeyVEKKVANFXNGLMT-UHFFFAOYSA-N
XLogP2.89
TPSA67.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(3-methylpyrazol-1-yl)phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The IUPAC name of [4-amino-2-(3-methylpyrazol-1-yl)phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone (CID 157036251) is [4-amino-2-(3-methylpyrazol-1-yl)phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-amino-2-(3-methylpyrazol-1-yl)phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [4-amino-2-(3-methylpyrazol-1-yl)phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone is Cc1ccn(-c2cc(N)ccc2C(=O)N2CCN(C)CC2c2ccccc2)n1.
What is the InChIKey of [4-amino-2-(3-methylpyrazol-1-yl)phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The InChIKey is VEKKVANFXNGLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16-10-11-27(24-16)20-14-18(23)8-9-19(20)22(28)26-13-12-25(2)15-21(26)17-6-4-3-5-7-17/h3-11,14,21H,12-13,15,23H2,1-2H3.
What are the key properties of [4-amino-2-(3-methylpyrazol-1-yl)phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone?
[4-amino-2-(3-methylpyrazol-1-yl)phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone has a molecular weight of 375.48 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(3-methylpyrazol-1-yl)phenyl]-(4-methyl-2-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 157036251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).