[3-(1-ethylpyrazol-4-yl)-2-methylphenyl]methanamine

C13H17N3 — CID 171364561

IUPAC[3-(1-ethylpyrazol-4-yl)-2-methylphenyl]methanamine
SMILESCCn1cc(-c2cccc(CN)c2C)cn1
InChIInChI=1S/C13H17N3/c1-3-16-9-12(8-15-16)13-6-4-5-11(7-14)10(13)2/h4-6,8-9H,3,7,14H2,1-2H3
InChIKeyWMBUNXBWLAEOKJ-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.34
Rot. Bonds3

About [3-(1-ethylpyrazol-4-yl)-2-methylphenyl]methanamine

[3-(1-ethylpyrazol-4-yl)-2-methylphenyl]methanamine (PubChem CID 171364561) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is [3-(1-ethylpyrazol-4-yl)-2-methylphenyl]methanamine.

Molecular Properties

Compound Name[3-(1-ethylpyrazol-4-yl)-2-methylphenyl]methanamine
PubChem CID171364561
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name[3-(1-ethylpyrazol-4-yl)-2-methylphenyl]methanamine
SMILESCCn1cc(-c2cccc(CN)c2C)cn1
InChIInChI=1S/C13H17N3/c1-3-16-9-12(8-15-16)13-6-4-5-11(7-14)10(13)2/h4-6,8-9H,3,7,14H2,1-2H3
InChIKeyWMBUNXBWLAEOKJ-UHFFFAOYSA-N
XLogP2.34
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]methanamine;hydrochloride
CID 171364566
[2-methyl-3-(1-methylpyrazol-4-yl)phenyl]methanamine
CID 171364559
3-(1-ethylpyrazol-4-yl)-2-fluorobenzoic acid
CID 107957133
5-(1-butylpyrazol-4-yl)naphthalen-1-amine
CID 172677743
3-(1-butylpyrazol-4-yl)-2-methylbenzoic acid
CID 171362105
4-(4-tert-butylphenyl)-1-ethylpyrazole
CID 126653145
3-chloro-4-(1-ethylpyrazol-4-yl)aniline
CID 107615727
chloromethane;N,N-dimethylethanamine;ethane;[2-methyl-3-(1-propylpyrazol-4-yl)phenyl]hydrazine
CID 145075855
[6-(1-ethylpyrazol-4-yl)oxy-2-methyl-3-pyridinyl]methanamine
CID 116802826
5-(1-ethylpyrazol-4-yl)-2-methylpyridine
CID 58399288
2-[4-(4-ethylphenyl)pyrazol-1-yl]ethanamine
CID 82113702
2-[2-(aminomethyl)-3,3-difluoroprop-2-enyl]-4-[3-(1-ethylpyrazol-4-yl)-2-methylphenyl]-1,2,4-triazol-3-one;2,2,2-trifluoroacetic acid
CID 154928420

Frequently Asked Questions

What is the IUPAC name of [3-(1-ethylpyrazol-4-yl)-2-methylphenyl]methanamine?
The IUPAC name of [3-(1-ethylpyrazol-4-yl)-2-methylphenyl]methanamine (CID 171364561) is [3-(1-ethylpyrazol-4-yl)-2-methylphenyl]methanamine.
What is the SMILES notation for [3-(1-ethylpyrazol-4-yl)-2-methylphenyl]methanamine?
The canonical SMILES for [3-(1-ethylpyrazol-4-yl)-2-methylphenyl]methanamine is CCn1cc(-c2cccc(CN)c2C)cn1.
What is the InChIKey of [3-(1-ethylpyrazol-4-yl)-2-methylphenyl]methanamine?
The InChIKey is WMBUNXBWLAEOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-3-16-9-12(8-15-16)13-6-4-5-11(7-14)10(13)2/h4-6,8-9H,3,7,14H2,1-2H3.
What are the key properties of [3-(1-ethylpyrazol-4-yl)-2-methylphenyl]methanamine?
[3-(1-ethylpyrazol-4-yl)-2-methylphenyl]methanamine has a molecular weight of 215.30 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-ethylpyrazol-4-yl)-2-methylphenyl]methanamine is sourced from PubChem (CID 171364561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).