1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine

C13H17N3 — CID 19618976

IUPAC1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCc1ccc(CNCc2ccnn2C)cc1
InChIInChI=1S/C13H17N3/c1-11-3-5-12(6-4-11)9-14-10-13-7-8-15-16(13)2/h3-8,14H,9-10H2,1-2H3
InChIKeySOEKNSSDGFFUFM-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.02
Rot. Bonds4

About 1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine

1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine (PubChem CID 19618976) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
PubChem CID19618976
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
SMILESCc1ccc(CNCc2ccnn2C)cc1
InChIInChI=1S/C13H17N3/c1-11-3-5-12(6-4-11)9-14-10-13-7-8-15-16(13)2/h3-8,14H,9-10H2,1-2H3
InChIKeySOEKNSSDGFFUFM-UHFFFAOYSA-N
XLogP2.02
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-4-ylmethanamine
CID 19626583
N-[(2-methylpyrazol-3-yl)methyl]-1-pyridin-3-ylmethanamine
CID 19626584
1-(2-bromo-4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 75431857
1-(1-ethylpyrrol-3-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 66414611
1-(3-fluorophenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 19625004
N-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 115693281
1-(1-methyl-2,3-dihydroindol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 55204405
1-(1H-indol-5-yl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 102910896
1-(2-methylpyrazol-3-yl)-N-[(1-propylpyrazol-4-yl)methyl]methanamine
CID 103674015
N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694342
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 103721615
1-(4-methylphenyl)-N-[[4-(4-methylphenyl)phenyl]methyl]methanamine
CID 171059943

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine (CID 19618976) is 1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine is Cc1ccc(CNCc2ccnn2C)cc1.
What is the InChIKey of 1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
The InChIKey is SOEKNSSDGFFUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-11-3-5-12(6-4-11)9-14-10-13-7-8-15-16(13)2/h3-8,14H,9-10H2,1-2H3.
What are the key properties of 1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine?
1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine is sourced from PubChem (CID 19618976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).