1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine

C14H19N3 — CID 54979175

IUPAC1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCc1cc(C)cc(CNCc2cnn(C)c2)c1
InChIInChI=1S/C14H19N3/c1-11-4-12(2)6-13(5-11)7-15-8-14-9-16-17(3)10-14/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyOJSLGZXCVSYWMS-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.33
Rot. Bonds4

About 1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine

1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine (PubChem CID 54979175) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
PubChem CID54979175
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
SMILESCc1cc(C)cc(CNCc2cnn(C)c2)c1
InChIInChI=1S/C14H19N3/c1-11-4-12(2)6-13(5-11)7-15-8-14-9-16-17(3)10-14/h4-6,9-10,15H,7-8H2,1-3H3
InChIKeyOJSLGZXCVSYWMS-UHFFFAOYSA-N
XLogP2.33
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-1-(5-methyl-2-pyridinyl)methanamine
CID 80709626
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
N-[(1,4-dimethylpyrazol-5-yl)methyl]-1-(1-methylpyrazol-4-yl)methanamine
CID 122166833
(E)-3-chloro-N-[(1-methylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 107899772
1-(1-methylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 61035698
N-[(1-methylpyrazol-4-yl)methyl]-1-(2,4,6-trimethylphenyl)ethanamine
CID 61349253
1-(4,5-dibromothiophen-2-yl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 102834954
3-[[(1-methylpyrazol-4-yl)methylamino]methyl]phenol;hydrochloride
CID 126964493
2-ethyl-N-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
CID 61349630
2-methyl-1-[(1-methylpyrazol-4-yl)methylamino]propan-2-ol
CID 61349842
1-(1-methylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61034807
1,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-3-amine
CID 19626325

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine (CID 54979175) is 1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine is Cc1cc(C)cc(CNCc2cnn(C)c2)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
The InChIKey is OJSLGZXCVSYWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-11-4-12(2)6-13(5-11)7-15-8-14-9-16-17(3)10-14/h4-6,9-10,15H,7-8H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine?
1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine has a molecular weight of 229.33 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 54979175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).