N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline

C16H14ClN3 — CID 43739916

IUPACN-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline
SMILESClc1ccc(CNc2cccc(-n3cccn3)c2)cc1
InChIInChI=1S/C16H14ClN3/c17-14-7-5-13(6-8-14)12-18-15-3-1-4-16(11-15)20-10-2-9-19-20/h1-11,18H,12H2
InChIKeyOWAIBAGZOCENCL-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.14
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline

N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline (PubChem CID 43739916) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline
PubChem CID43739916
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC NameN-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline
SMILESClc1ccc(CNc2cccc(-n3cccn3)c2)cc1
InChIInChI=1S/C16H14ClN3/c17-14-7-5-13(6-8-14)12-18-15-3-1-4-16(11-15)20-10-2-9-19-20/h1-11,18H,12H2
InChIKeyOWAIBAGZOCENCL-UHFFFAOYSA-N
XLogP4.14
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739948
N-[(6-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylaniline
CID 104756598
N-[(5-bromothiophen-3-yl)methyl]-3-pyrazol-1-ylaniline
CID 43740019
N-[(3-methoxyphenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739922
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
N-(3-chlorophenyl)-3-pyrazol-1-ylaniline
CID 162634741
N-[(4-chlorophenyl)methyl]-3-pyrrolidin-1-ylaniline
CID 60943058
N-[(2-bromophenyl)methyl]-3-pyrazol-1-ylaniline
CID 43739976
N-(furan-2-ylmethyl)-3-pyrazol-1-ylaniline
CID 43739947
2-[(3-pyrazol-1-ylanilino)methyl]aniline
CID 66416886
1-[(4-chlorophenyl)methyl]-2-methyl-3-[(3-pyrazol-1-ylphenyl)methyl]guanidine
CID 111792129
3-pyrazol-1-yl-N-(1,3-thiazol-5-ylmethyl)aniline
CID 55109620

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline (CID 43739916) is N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline is Clc1ccc(CNc2cccc(-n3cccn3)c2)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline?
The InChIKey is OWAIBAGZOCENCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c17-14-7-5-13(6-8-14)12-18-15-3-1-4-16(11-15)20-10-2-9-19-20/h1-11,18H,12H2.
What are the key properties of N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline?
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline has a molecular weight of 283.76 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylaniline is sourced from PubChem (CID 43739916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).