5-cyclopropyl-4-(4-ethylphenyl)-1H-pyrazol-3-amine

C14H17N3 — CID 82081179

IUPAC5-cyclopropyl-4-(4-ethylphenyl)-1H-pyrazol-3-amine
SMILESCCc1ccc(-c2c(N)n[nH]c2C2CC2)cc1
InChIInChI=1S/C14H17N3/c1-2-9-3-5-10(6-4-9)12-13(11-7-8-11)16-17-14(12)15/h3-6,11H,2,7-8H2,1H3,(H3,15,16,17)
InChIKeyQTGAAKNIGMTQRL-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.10
Rot. Bonds3

About 5-cyclopropyl-4-(4-ethylphenyl)-1H-pyrazol-3-amine

5-cyclopropyl-4-(4-ethylphenyl)-1H-pyrazol-3-amine (PubChem CID 82081179) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-cyclopropyl-4-(4-ethylphenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-cyclopropyl-4-(4-ethylphenyl)-1H-pyrazol-3-amine
PubChem CID82081179
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name5-cyclopropyl-4-(4-ethylphenyl)-1H-pyrazol-3-amine
SMILESCCc1ccc(-c2c(N)n[nH]c2C2CC2)cc1
InChIInChI=1S/C14H17N3/c1-2-9-3-5-10(6-4-9)12-13(11-7-8-11)16-17-14(12)15/h3-6,11H,2,7-8H2,1H3,(H3,15,16,17)
InChIKeyQTGAAKNIGMTQRL-UHFFFAOYSA-N
XLogP3.10
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-(4-ethylphenyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-cyclopropyl-4-(4-ethylphenyl)-1H-pyrazol-3-amine (CID 82081179) is 5-cyclopropyl-4-(4-ethylphenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-cyclopropyl-4-(4-ethylphenyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-cyclopropyl-4-(4-ethylphenyl)-1H-pyrazol-3-amine is CCc1ccc(-c2c(N)n[nH]c2C2CC2)cc1.
What is the InChIKey of 5-cyclopropyl-4-(4-ethylphenyl)-1H-pyrazol-3-amine?
The InChIKey is QTGAAKNIGMTQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3/c1-2-9-3-5-10(6-4-9)12-13(11-7-8-11)16-17-14(12)15/h3-6,11H,2,7-8H2,1H3,(H3,15,16,17).
What are the key properties of 5-cyclopropyl-4-(4-ethylphenyl)-1H-pyrazol-3-amine?
5-cyclopropyl-4-(4-ethylphenyl)-1H-pyrazol-3-amine has a molecular weight of 227.31 g/mol, XLogP of 3.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-4-(4-ethylphenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 82081179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).