[5-[anilino(methyl)amino]-3,5-dimethyl-4H-pyrazol-1-yl]-phenylmethanone

C19H22N4O — CID 23879108

IUPAC[5-[anilino(methyl)amino]-3,5-dimethyl-4H-pyrazol-1-yl]-phenylmethanone
SMILESCC1=NN(C(=O)c2ccccc2)C(C)(N(C)Nc2ccccc2)C1
InChIInChI=1S/C19H22N4O/c1-15-14-19(2,22(3)21-17-12-8-5-9-13-17)23(20-15)18(24)16-10-6-4-7-11-16/h4-13,21H,14H2,1-3H3
InChIKeyRUWWIYYCVJESRV-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.58
Rot. Bonds4

About [5-[anilino(methyl)amino]-3,5-dimethyl-4H-pyrazol-1-yl]-phenylmethanone

[5-[anilino(methyl)amino]-3,5-dimethyl-4H-pyrazol-1-yl]-phenylmethanone (PubChem CID 23879108) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is [5-[anilino(methyl)amino]-3,5-dimethyl-4H-pyrazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[5-[anilino(methyl)amino]-3,5-dimethyl-4H-pyrazol-1-yl]-phenylmethanone
PubChem CID23879108
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name[5-[anilino(methyl)amino]-3,5-dimethyl-4H-pyrazol-1-yl]-phenylmethanone
SMILESCC1=NN(C(=O)c2ccccc2)C(C)(N(C)Nc2ccccc2)C1
InChIInChI=1S/C19H22N4O/c1-15-14-19(2,22(3)21-17-12-8-5-9-13-17)23(20-15)18(24)16-10-6-4-7-11-16/h4-13,21H,14H2,1-3H3
InChIKeyRUWWIYYCVJESRV-UHFFFAOYSA-N
XLogP3.58
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-[anilino(methyl)amino]-3,5-dimethyl-4H-pyrazol-1-yl]-phenylmethanone?
The IUPAC name of [5-[anilino(methyl)amino]-3,5-dimethyl-4H-pyrazol-1-yl]-phenylmethanone (CID 23879108) is [5-[anilino(methyl)amino]-3,5-dimethyl-4H-pyrazol-1-yl]-phenylmethanone.
What is the SMILES notation for [5-[anilino(methyl)amino]-3,5-dimethyl-4H-pyrazol-1-yl]-phenylmethanone?
The canonical SMILES for [5-[anilino(methyl)amino]-3,5-dimethyl-4H-pyrazol-1-yl]-phenylmethanone is CC1=NN(C(=O)c2ccccc2)C(C)(N(C)Nc2ccccc2)C1.
What is the InChIKey of [5-[anilino(methyl)amino]-3,5-dimethyl-4H-pyrazol-1-yl]-phenylmethanone?
The InChIKey is RUWWIYYCVJESRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-15-14-19(2,22(3)21-17-12-8-5-9-13-17)23(20-15)18(24)16-10-6-4-7-11-16/h4-13,21H,14H2,1-3H3.
What are the key properties of [5-[anilino(methyl)amino]-3,5-dimethyl-4H-pyrazol-1-yl]-phenylmethanone?
[5-[anilino(methyl)amino]-3,5-dimethyl-4H-pyrazol-1-yl]-phenylmethanone has a molecular weight of 322.41 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[anilino(methyl)amino]-3,5-dimethyl-4H-pyrazol-1-yl]-phenylmethanone is sourced from PubChem (CID 23879108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).