5-chloro-2-pyrazol-1-yl-N-(2,4,4-trimethylcyclopentyl)aniline

C17H22ClN3 — CID 106662283

IUPAC5-chloro-2-pyrazol-1-yl-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCC1CC(C)(C)CC1Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C17H22ClN3/c1-12-10-17(2,3)11-15(12)20-14-9-13(18)5-6-16(14)21-8-4-7-19-21/h4-9,12,15,20H,10-11H2,1-3H3
InChIKeyNSQMUGDASPWDQX-UHFFFAOYSA-N
MW303.84 g/mol
LogP4.76
Rot. Bonds3

About 5-chloro-2-pyrazol-1-yl-N-(2,4,4-trimethylcyclopentyl)aniline

5-chloro-2-pyrazol-1-yl-N-(2,4,4-trimethylcyclopentyl)aniline (PubChem CID 106662283) has the molecular formula C17H22ClN3 and a molecular weight of 303.84 g/mol. Its IUPAC name is 5-chloro-2-pyrazol-1-yl-N-(2,4,4-trimethylcyclopentyl)aniline.

Molecular Properties

Compound Name5-chloro-2-pyrazol-1-yl-N-(2,4,4-trimethylcyclopentyl)aniline
PubChem CID106662283
Molecular FormulaC17H22ClN3
Molecular Weight303.84 g/mol
Exact Mass303.15
IUPAC Name5-chloro-2-pyrazol-1-yl-N-(2,4,4-trimethylcyclopentyl)aniline
SMILESCC1CC(C)(C)CC1Nc1cc(Cl)ccc1-n1cccn1
InChIInChI=1S/C17H22ClN3/c1-12-10-17(2,3)11-15(12)20-14-9-13(18)5-6-16(14)21-8-4-7-19-21/h4-9,12,15,20H,10-11H2,1-3H3
InChIKeyNSQMUGDASPWDQX-UHFFFAOYSA-N
XLogP4.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.84
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-chloro-2-pyrazol-1-ylphenyl)-4,4-dimethylthian-3-amine
CID 79952621
2,4,4-trimethyl-N-[(2-pyrazol-1-ylphenyl)methyl]cyclopentan-1-amine
CID 106662367
5-chloro-N-(4-ethylcyclohexyl)-2-pyrazol-1-ylaniline
CID 63449753
N-(5-chloro-2-pyrazol-1-ylphenyl)-1,1-dioxothian-4-amine
CID 60944184
3-(5-chloro-2-pyrazol-1-ylanilino)-1-methylpyrrolidine-2,5-dione
CID 60932879
5-chloro-N-(1-cyclopropylethyl)-2-pyrazol-1-ylaniline
CID 54863788
5-chloro-2-fluoro-N-(2,4,4-trimethylcyclohexyl)aniline
CID 81321416
2-chloro-N-(2,4,4-trimethylcyclopentyl)aniline
CID 106661600
5-chloro-N-[(3-methylphenyl)methyl]-2-pyrazol-1-ylaniline
CID 51890254
5-chloro-N-(oxan-4-ylmethyl)-2-pyrazol-1-ylaniline
CID 62386523
N-(5-chloro-2-pyrazol-1-ylphenyl)piperidine-4-carboxamide
CID 60928453
5-chloro-N-(5-methylhexan-2-yl)-2-pyrazol-1-ylaniline
CID 63449572

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-pyrazol-1-yl-N-(2,4,4-trimethylcyclopentyl)aniline?
The IUPAC name of 5-chloro-2-pyrazol-1-yl-N-(2,4,4-trimethylcyclopentyl)aniline (CID 106662283) is 5-chloro-2-pyrazol-1-yl-N-(2,4,4-trimethylcyclopentyl)aniline.
What is the SMILES notation for 5-chloro-2-pyrazol-1-yl-N-(2,4,4-trimethylcyclopentyl)aniline?
The canonical SMILES for 5-chloro-2-pyrazol-1-yl-N-(2,4,4-trimethylcyclopentyl)aniline is CC1CC(C)(C)CC1Nc1cc(Cl)ccc1-n1cccn1.
What is the InChIKey of 5-chloro-2-pyrazol-1-yl-N-(2,4,4-trimethylcyclopentyl)aniline?
The InChIKey is NSQMUGDASPWDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN3/c1-12-10-17(2,3)11-15(12)20-14-9-13(18)5-6-16(14)21-8-4-7-19-21/h4-9,12,15,20H,10-11H2,1-3H3.
What are the key properties of 5-chloro-2-pyrazol-1-yl-N-(2,4,4-trimethylcyclopentyl)aniline?
5-chloro-2-pyrazol-1-yl-N-(2,4,4-trimethylcyclopentyl)aniline has a molecular weight of 303.84 g/mol, XLogP of 4.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-pyrazol-1-yl-N-(2,4,4-trimethylcyclopentyl)aniline is sourced from PubChem (CID 106662283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).