N-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine

C13H17N3 — CID 62392134

IUPACN-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine
SMILESCCc1ccccc1CNc1ccn(C)n1
InChIInChI=1S/C13H17N3/c1-3-11-6-4-5-7-12(11)10-14-13-8-9-16(2)15-13/h4-9H,3,10H2,1-2H3,(H,14,15)
InChIKeyKILOJFGLLBCQMO-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.59
Rot. Bonds4

About N-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine

N-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine (PubChem CID 62392134) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is N-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine
PubChem CID62392134
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC NameN-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine
SMILESCCc1ccccc1CNc1ccn(C)n1
InChIInChI=1S/C13H17N3/c1-3-11-6-4-5-7-12(11)10-14-13-8-9-16(2)15-13/h4-9H,3,10H2,1-2H3,(H,14,15)
InChIKeyKILOJFGLLBCQMO-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-methylpyrazol-3-amine;hydrochloride
CID 126963985
N-[(3-ethoxy-2-methoxyphenyl)methyl]-1-methylpyrazol-3-amine
CID 54921625
N-[(2-ethylphenyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372598
N-[(2-ethylphenyl)methyl]pyridin-2-amine
CID 64695521
N-[2-[2-(aminomethyl)phenyl]ethyl]-1-methylpyrazol-3-amine
CID 103568727
1-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pyrazol-3-amine
CID 60808842
2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid
CID 103256802
5-tert-butyl-N-[(2-ethylphenyl)methyl]pyridin-2-amine
CID 107874733
N-[(2-methylphenyl)methyl]-1-propylpyrazol-3-amine
CID 19625907
2-(2-fluorophenyl)-N-(1-methylpyrazol-3-yl)acetamide
CID 16622031
2-[(1-methylpyrazol-3-yl)amino]acetaldehyde
CID 91444715
1-methyl-N-[[2,4,6-trimethyl-3-[[(1-methylpyrazol-3-yl)amino]methyl]-5-[[2,4,6-trimethyl-3,5-bis[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]methyl]phenyl]methyl]pyrazol-3-amine
CID 122206251

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine?
The IUPAC name of N-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine (CID 62392134) is N-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine.
What is the SMILES notation for N-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine?
The canonical SMILES for N-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine is CCc1ccccc1CNc1ccn(C)n1.
What is the InChIKey of N-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine?
The InChIKey is KILOJFGLLBCQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-11-6-4-5-7-12(11)10-14-13-8-9-16(2)15-13/h4-9H,3,10H2,1-2H3,(H,14,15).
What are the key properties of N-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine?
N-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine has a molecular weight of 215.30 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethylphenyl)methyl]-1-methylpyrazol-3-amine is sourced from PubChem (CID 62392134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).