5-chloro-N-(4-ethylcyclohexyl)-2-pyrazol-1-ylaniline

C17H22ClN3 — CID 63449753

IUPAC5-chloro-N-(4-ethylcyclohexyl)-2-pyrazol-1-ylaniline
SMILESCCC1CCC(Nc2cc(Cl)ccc2-n2cccn2)CC1
InChIInChI=1S/C17H22ClN3/c1-2-13-4-7-15(8-5-13)20-16-12-14(18)6-9-17(16)21-11-3-10-19-21/h3,6,9-13,15,20H,2,4-5,7-8H2,1H3
InChIKeyRPZGDQZNGTUYFV-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.91
Rot. Bonds4

About 5-chloro-N-(4-ethylcyclohexyl)-2-pyrazol-1-ylaniline

5-chloro-N-(4-ethylcyclohexyl)-2-pyrazol-1-ylaniline (PubChem CID 63449753) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 5-chloro-N-(4-ethylcyclohexyl)-2-pyrazol-1-ylaniline.

Molecular Properties

Compound Name5-chloro-N-(4-ethylcyclohexyl)-2-pyrazol-1-ylaniline
PubChem CID63449753
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name5-chloro-N-(4-ethylcyclohexyl)-2-pyrazol-1-ylaniline
SMILESCCC1CCC(Nc2cc(Cl)ccc2-n2cccn2)CC1
InChIInChI=1S/C17H22ClN3/c1-2-13-4-7-15(8-5-13)20-16-12-14(18)6-9-17(16)21-11-3-10-19-21/h3,6,9-13,15,20H,2,4-5,7-8H2,1H3
InChIKeyRPZGDQZNGTUYFV-UHFFFAOYSA-N
XLogP4.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-pyrazol-1-ylphenyl)-1,1-dioxothian-4-amine
CID 60944184
N-(3-ethylcyclopentyl)-2-pyrazol-1-ylaniline
CID 64501492
5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline
CID 54863788
5-chloro-N-(oxan-4-ylmethyl)-2-pyrazol-1-ylaniline
CID 62386523
5-chloro-2-pyrazol-1-yl-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106662283
3-(5-chloro-2-pyrazol-1-ylanilino)-1-methylpyrrolidine-2,5-dione
CID 60932879
N-(4-chloro-2-fluorophenyl)-4-ethylcycloheptan-1-amine
CID 65084049
N-(5-chloro-2-pyrazol-1-ylphenyl)-4,4-dimethylthian-3-amine
CID 79952621
ethyl N-(5-chloro-2-pyrazol-1-ylphenyl)carbamate
CID 61062622
5-chloro-2-pyrazol-1-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79538327
5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline
CID 63449572
N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 60928453

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(4-ethylcyclohexyl)-2-pyrazol-1-ylaniline?
The IUPAC name of 5-chloro-N-(4-ethylcyclohexyl)-2-pyrazol-1-ylaniline (CID 63449753) is 5-chloro-N-(4-ethylcyclohexyl)-2-pyrazol-1-ylaniline.
What is the SMILES notation for 5-chloro-N-(4-ethylcyclohexyl)-2-pyrazol-1-ylaniline?
The canonical SMILES for 5-chloro-N-(4-ethylcyclohexyl)-2-pyrazol-1-ylaniline is CCC1CCC(Nc2cc(Cl)ccc2-n2cccn2)CC1.
What is the InChIKey of 5-chloro-N-(4-ethylcyclohexyl)-2-pyrazol-1-ylaniline?
The InChIKey is RPZGDQZNGTUYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-2-13-4-7-15(8-5-13)20-16-12-14(18)6-9-17(16)21-11-3-10-19-21/h3,6,9-13,15,20H,2,4-5,7-8H2,1H3.
What are the key properties of 5-chloro-N-(4-ethylcyclohexyl)-2-pyrazol-1-ylaniline?
5-chloro-N-(4-ethylcyclohexyl)-2-pyrazol-1-ylaniline has a molecular weight of 303.84 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(4-ethylcyclohexyl)-2-pyrazol-1-ylaniline is sourced from PubChem (CID 63449753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).