1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile

C15H18N4 — CID 63753001

IUPAC1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile
SMILESCc1ccccc1CN(C)c1c(C#N)c(C)nn1C
InChIInChI=1S/C15H18N4/c1-11-7-5-6-8-13(11)10-18(3)15-14(9-16)12(2)17-19(15)4/h5-8H,10H2,1-4H3
InChIKeyAYSGKHSAASUTOB-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.55
Rot. Bonds3

About 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile

1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile (PubChem CID 63753001) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile
PubChem CID63753001
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile
SMILESCc1ccccc1CN(C)c1c(C#N)c(C)nn1C
InChIInChI=1S/C15H18N4/c1-11-7-5-6-8-13(11)10-18(3)15-14(9-16)12(2)17-19(15)4/h5-8H,10H2,1-4H3
InChIKeyAYSGKHSAASUTOB-UHFFFAOYSA-N
XLogP2.55
TPSA44.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile 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

5-[benzyl(methyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63751974
5-[(5-amino-2-chlorophenyl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63757012
1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbaldehyde
CID 61411890
5-[(4-bromothiophen-2-yl)methyl-methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63752150
5-[ethyl(thiophen-2-ylmethyl)amino]-1,3-dimethylpyrazole-4-carbonitrile
CID 63751809
2-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]-N-methylacetamide
CID 55243869
5-[(3-amino-4-methylpentyl)-methylamino]-1,3-dimethylpyrazole-4-carbonitrile
CID 113285589
N-[(2-bromophenyl)methyl]-4-(chloromethyl)-N,1,3-trimethylpyrazol-5-amine
CID 61416100
N-[(2-methoxyphenyl)methyl]-N,1,3-trimethyl-4-(methylaminomethyl)pyrazol-5-amine
CID 61418169
ethyl 3-[(4-cyano-1,3-dimethylpyrazol-5-yl)-methylamino]propanoate
CID 63758747
1,3-dimethyl-5-[2-(methylaminomethyl)phenoxy]pyrazole-4-carbonitrile
CID 106485435
4-[methyl-[(2-methylphenyl)methyl]amino]pyridine-2-carbonitrile
CID 62491987

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile?
The IUPAC name of 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile (CID 63753001) is 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile.
What is the SMILES notation for 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile?
The canonical SMILES for 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile is Cc1ccccc1CN(C)c1c(C#N)c(C)nn1C.
What is the InChIKey of 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile?
The InChIKey is AYSGKHSAASUTOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-7-5-6-8-13(11)10-18(3)15-14(9-16)12(2)17-19(15)4/h5-8H,10H2,1-4H3.
What are the key properties of 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile?
1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile has a molecular weight of 254.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-[methyl-[(2-methylphenyl)methyl]amino]pyrazole-4-carbonitrile is sourced from PubChem (CID 63753001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).