N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine

C18H19N3 — CID 43486037

IUPACN-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCNC(c1ccc(C)cc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H19N3/c1-14-8-10-15(11-9-14)18(19-2)16-12-20-21(13-16)17-6-4-3-5-7-17/h3-13,18-19H,1-2H3
InChIKeyCRVUDHNXGNLJMM-UHFFFAOYSA-N
MW277.37 g/mol
LogP3.49
Rot. Bonds4

About N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine

N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine (PubChem CID 43486037) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine
PubChem CID43486037
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC NameN-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine
SMILESCNC(c1ccc(C)cc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C18H19N3/c1-14-8-10-15(11-9-14)18(19-2)16-12-20-21(13-16)17-6-4-3-5-7-17/h3-13,18-19H,1-2H3
InChIKeyCRVUDHNXGNLJMM-UHFFFAOYSA-N
XLogP3.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486021
1-(furan-2-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43485984
1-(5-bromothiophen-3-yl)-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 107960678
N-methyl-1-(3-methylthiophen-2-yl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 43485986
N,2-dimethyl-1-(1-phenylpyrazol-4-yl)propan-1-amine
CID 43486000
N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-3-yl)methanamine
CID 105092106
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
N-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 105161286
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
1-cyclobutyl-N-methyl-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486034
N-methyl-1-(2-methylcyclopropyl)-1-(1-phenylpyrazol-4-yl)methanamine
CID 43486036
3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 65236429

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine (CID 43486037) is N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine is CNC(c1ccc(C)cc1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine?
The InChIKey is CRVUDHNXGNLJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-14-8-10-15(11-9-14)18(19-2)16-12-20-21(13-16)17-6-4-3-5-7-17/h3-13,18-19H,1-2H3.
What are the key properties of N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine?
N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine has a molecular weight of 277.37 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-4-yl)methanamine is sourced from PubChem (CID 43486037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).