N-(3-cyclopropylcyclohexyl)-2-pyrazol-1-ylaniline

C18H23N3 — CID 64596048

IUPACN-(3-cyclopropylcyclohexyl)-2-pyrazol-1-ylaniline
SMILESc1ccc(-n2cccn2)c(NC2CCCC(C3CC3)C2)c1
InChIInChI=1S/C18H23N3/c1-2-8-18(21-12-4-11-19-21)17(7-1)20-16-6-3-5-15(13-16)14-9-10-14/h1-2,4,7-8,11-12,14-16,20H,3,5-6,9-10,13H2
InChIKeyOMSXLRRXBXFXQS-UHFFFAOYSA-N
MW281.40 g/mol
LogP4.25
Rot. Bonds4

About N-(3-cyclopropylcyclohexyl)-2-pyrazol-1-ylaniline

N-(3-cyclopropylcyclohexyl)-2-pyrazol-1-ylaniline (PubChem CID 64596048) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-(3-cyclopropylcyclohexyl)-2-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-(3-cyclopropylcyclohexyl)-2-pyrazol-1-ylaniline
PubChem CID64596048
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC NameN-(3-cyclopropylcyclohexyl)-2-pyrazol-1-ylaniline
SMILESc1ccc(-n2cccn2)c(NC2CCCC(C3CC3)C2)c1
InChIInChI=1S/C18H23N3/c1-2-8-18(21-12-4-11-19-21)17(7-1)20-16-6-3-5-15(13-16)14-9-10-14/h1-2,4,7-8,11-12,14-16,20H,3,5-6,9-10,13H2
InChIKeyOMSXLRRXBXFXQS-UHFFFAOYSA-N
XLogP4.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclopropylcyclohexyl)-2-pyrazol-1-ylaniline?
The IUPAC name of N-(3-cyclopropylcyclohexyl)-2-pyrazol-1-ylaniline (CID 64596048) is N-(3-cyclopropylcyclohexyl)-2-pyrazol-1-ylaniline.
What is the SMILES notation for N-(3-cyclopropylcyclohexyl)-2-pyrazol-1-ylaniline?
The canonical SMILES for N-(3-cyclopropylcyclohexyl)-2-pyrazol-1-ylaniline is c1ccc(-n2cccn2)c(NC2CCCC(C3CC3)C2)c1.
What is the InChIKey of N-(3-cyclopropylcyclohexyl)-2-pyrazol-1-ylaniline?
The InChIKey is OMSXLRRXBXFXQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-2-8-18(21-12-4-11-19-21)17(7-1)20-16-6-3-5-15(13-16)14-9-10-14/h1-2,4,7-8,11-12,14-16,20H,3,5-6,9-10,13H2.
What are the key properties of N-(3-cyclopropylcyclohexyl)-2-pyrazol-1-ylaniline?
N-(3-cyclopropylcyclohexyl)-2-pyrazol-1-ylaniline has a molecular weight of 281.40 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopropylcyclohexyl)-2-pyrazol-1-ylaniline is sourced from PubChem (CID 64596048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).