[4-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]methanamine

C14H17N3 — CID 58495574

IUPAC[4-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ccn(CC3CC3)n2)cc1
InChIInChI=1S/C14H17N3/c15-9-11-3-5-13(6-4-11)14-7-8-17(16-14)10-12-1-2-12/h3-8,12H,1-2,9-10,15H2
InChIKeyWJVNWEQSIMGNHZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP2.42
Rot. Bonds4

About [4-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]methanamine

[4-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]methanamine (PubChem CID 58495574) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is [4-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]methanamine
PubChem CID58495574
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name[4-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]methanamine
SMILESNCc1ccc(-c2ccn(CC3CC3)n2)cc1
InChIInChI=1S/C14H17N3/c15-9-11-3-5-13(6-4-11)14-7-8-17(16-14)10-12-1-2-12/h3-8,12H,1-2,9-10,15H2
InChIKeyWJVNWEQSIMGNHZ-UHFFFAOYSA-N
XLogP2.42
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]methanamine?
The IUPAC name of [4-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]methanamine (CID 58495574) is [4-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]methanamine.
What is the SMILES notation for [4-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]methanamine?
The canonical SMILES for [4-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]methanamine is NCc1ccc(-c2ccn(CC3CC3)n2)cc1.
What is the InChIKey of [4-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]methanamine?
The InChIKey is WJVNWEQSIMGNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c15-9-11-3-5-13(6-4-11)14-7-8-17(16-14)10-12-1-2-12/h3-8,12H,1-2,9-10,15H2.
What are the key properties of [4-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]methanamine?
[4-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]methanamine has a molecular weight of 227.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(cyclopropylmethyl)pyrazol-3-yl]phenyl]methanamine is sourced from PubChem (CID 58495574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).