[1-[1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine

C14H17N3 — CID 116818468

IUPAC[1-[1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
SMILESCc1ccccc1-n1ccc(C2(CN)CC2)n1
InChIInChI=1S/C14H17N3/c1-11-4-2-3-5-12(11)17-9-6-13(16-17)14(10-15)7-8-14/h2-6,9H,7-8,10,15H2,1H3
InChIKeyYQEYBMPTOLDMNW-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.17
Rot. Bonds3

About [1-[1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine

[1-[1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine (PubChem CID 116818468) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is [1-[1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine.

Molecular Properties

Compound Name[1-[1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
PubChem CID116818468
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name[1-[1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
SMILESCc1ccccc1-n1ccc(C2(CN)CC2)n1
InChIInChI=1S/C14H17N3/c1-11-4-2-3-5-12(11)17-9-6-13(16-17)14(10-15)7-8-14/h2-6,9H,7-8,10,15H2,1H3
InChIKeyYQEYBMPTOLDMNW-UHFFFAOYSA-N
XLogP2.17
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[5-methyl-1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
CID 116818504
[4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-yl]methanamine
CID 117007839
1-[1-(2-methylphenyl)pyrazol-3-yl]ethanone
CID 146082154
4-(aminomethyl)-1-(2-methylphenyl)piperidin-4-ol
CID 82286374
[1-(4-bromo-5-methyl-1-phenylpyrazol-3-yl)cyclopropyl]methanamine
CID 116819017
[3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine
CID 115025944
[1-[4-bromo-1-(2,4-dimethylphenyl)pyrazol-3-yl]cyclopropyl]methanamine
CID 116818996
2-[1-(2-methylphenyl)pyrazol-3-yl]benzamide
CID 175734660
3-(aminomethyl)-1-(2-methylphenyl)piperidin-3-ol
CID 115032266
[1-[1-(3-bromophenyl)-5-methylpyrazol-3-yl]cyclopropyl]methanamine
CID 116818525
2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine
CID 82282392
[1-(2-pyrrolidin-1-ylphenyl)cyclopropyl]methanamine
CID 82614208

Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine?
The IUPAC name of [1-[1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine (CID 116818468) is [1-[1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine.
What is the SMILES notation for [1-[1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine?
The canonical SMILES for [1-[1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine is Cc1ccccc1-n1ccc(C2(CN)CC2)n1.
What is the InChIKey of [1-[1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine?
The InChIKey is YQEYBMPTOLDMNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-11-4-2-3-5-12(11)17-9-6-13(16-17)14(10-15)7-8-14/h2-6,9H,7-8,10,15H2,1H3.
What are the key properties of [1-[1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine?
[1-[1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-methylphenyl)pyrazol-3-yl]cyclopropyl]methanamine is sourced from PubChem (CID 116818468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).