N-(3-chlorophenyl)-3-pyrazol-1-ylaniline

C15H12ClN3 — CID 162634741

IUPACN-(3-chlorophenyl)-3-pyrazol-1-ylaniline
SMILESClc1cccc(Nc2cccc(-n3cccn3)c2)c1
InChIInChI=1S/C15H12ClN3/c16-12-4-1-5-13(10-12)18-14-6-2-7-15(11-14)19-9-3-8-17-19/h1-11,18H
InChIKeyNODZLACFTGTQDS-UHFFFAOYSA-N
MW269.74 g/mol
LogP4.27
Rot. Bonds3

About N-(3-chlorophenyl)-3-pyrazol-1-ylaniline

N-(3-chlorophenyl)-3-pyrazol-1-ylaniline (PubChem CID 162634741) has the molecular formula C15H12ClN3 and a molecular weight of 269.74 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-pyrazol-1-ylaniline
PubChem CID162634741
Molecular FormulaC15H12ClN3
Molecular Weight269.74 g/mol
Exact Mass269.07
IUPAC NameN-(3-chlorophenyl)-3-pyrazol-1-ylaniline
SMILESClc1cccc(Nc2cccc(-n3cccn3)c2)c1
InChIInChI=1S/C15H12ClN3/c16-12-4-1-5-13(10-12)18-14-6-2-7-15(11-14)19-9-3-8-17-19/h1-11,18H
InChIKeyNODZLACFTGTQDS-UHFFFAOYSA-N
XLogP4.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.74
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-pyrazol-1-ylphenyl)pyridin-4-amine
CID 162626187
3-pyrazol-1-yl-N-[3-(1,2,4-triazol-4-yl)phenyl]aniline
CID 162626213
N-(3-pyrazol-1-ylphenyl)pyridin-2-amine
CID 162630753
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739916
N-[(2,4-dichlorophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739948
N-(3-pyrazol-1-ylphenyl)quinolin-3-amine
CID 162635420
N-(3-methylbutan-2-yl)-3-pyrazol-1-ylaniline
CID 43739992
2-(3-pyrazol-1-ylanilino)pyridine-4-carboxamide
CID 162627810
N-hexyl-3-pyrazol-1-ylaniline
CID 43739910
N-(dicyclopropylmethyl)-3-pyrazol-1-ylaniline
CID 43740005
1-(3,4-dichlorophenyl)pyrazole
CID 20572459
3-chloro-N-(4-pyrazol-1-ylphenyl)benzenesulfonamide
CID 31913171

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-pyrazol-1-ylaniline?
The IUPAC name of N-(3-chlorophenyl)-3-pyrazol-1-ylaniline (CID 162634741) is N-(3-chlorophenyl)-3-pyrazol-1-ylaniline.
What is the SMILES notation for N-(3-chlorophenyl)-3-pyrazol-1-ylaniline?
The canonical SMILES for N-(3-chlorophenyl)-3-pyrazol-1-ylaniline is Clc1cccc(Nc2cccc(-n3cccn3)c2)c1.
What is the InChIKey of N-(3-chlorophenyl)-3-pyrazol-1-ylaniline?
The InChIKey is NODZLACFTGTQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3/c16-12-4-1-5-13(10-12)18-14-6-2-7-15(11-14)19-9-3-8-17-19/h1-11,18H.
What are the key properties of N-(3-chlorophenyl)-3-pyrazol-1-ylaniline?
N-(3-chlorophenyl)-3-pyrazol-1-ylaniline has a molecular weight of 269.74 g/mol, XLogP of 4.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-pyrazol-1-ylaniline is sourced from PubChem (CID 162634741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).