[2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine

C15H21N3 — CID 61238142

IUPAC[2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine
SMILESCCc1c(C)nn(Cc2ccccc2CN)c1C
InChIInChI=1S/C15H21N3/c1-4-15-11(2)17-18(12(15)3)10-14-8-6-5-7-13(14)9-16/h5-8H,4,9-10,16H2,1-3H3
InChIKeyYVYFEYPEOOJXLL-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.57
Rot. Bonds4

About [2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine

[2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine (PubChem CID 61238142) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine
PubChem CID61238142
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name[2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine
SMILESCCc1c(C)nn(Cc2ccccc2CN)c1C
InChIInChI=1S/C15H21N3/c1-4-15-11(2)17-18(12(15)3)10-14-8-6-5-7-13(14)9-16/h5-8H,4,9-10,16H2,1-3H3
InChIKeyYVYFEYPEOOJXLL-UHFFFAOYSA-N
XLogP2.57
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]benzoate
CID 82969757
[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-methoxyphenyl]methanamine
CID 106785930
[1-[(3-chloro-2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanamine
CID 102856719
3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-methylpropan-1-amine
CID 79225297
4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-fluorobenzenecarbothioamide
CID 61237223
[4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methanamine
CID 55072800
4-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-3-methylbenzenecarbothioamide
CID 114482082
[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]methanamine
CID 114069106
2-[1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]ethanamine
CID 63094942
[1-[(2-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]methanol
CID 43647395
N-[[6-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-2-pyridinyl]methyl]ethanamine
CID 106907426
5-bromo-2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]pyridine
CID 104809178

Frequently Asked Questions

What is the IUPAC name of [2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine (CID 61238142) is [2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine is CCc1c(C)nn(Cc2ccccc2CN)c1C.
What is the InChIKey of [2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine?
The InChIKey is YVYFEYPEOOJXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-15-11(2)17-18(12(15)3)10-14-8-6-5-7-13(14)9-16/h5-8H,4,9-10,16H2,1-3H3.
What are the key properties of [2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine?
[2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine has a molecular weight of 243.35 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 61238142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).