N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline

C17H15ClN4 — CID 8972812

IUPACN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline
SMILESClc1cccc(N/N=C\c2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C17H15ClN4/c18-16-7-4-8-17(9-16)21-19-10-15-11-20-22(13-15)12-14-5-2-1-3-6-14/h1-11,13,21H,12H2/b19-10-
InChIKeyHHCNGADQCXQQCY-GRSHGNNSSA-N
MW310.79 g/mol
LogP4.03
Rot. Bonds5

About N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline

N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline (PubChem CID 8972812) has the molecular formula C17H15ClN4 and a molecular weight of 310.79 g/mol. Its IUPAC name is N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline.

Molecular Properties

Compound NameN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline
PubChem CID8972812
Molecular FormulaC17H15ClN4
Molecular Weight310.79 g/mol
Exact Mass310.10
IUPAC NameN-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline
SMILESClc1cccc(N/N=C\c2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C17H15ClN4/c18-16-7-4-8-17(9-16)21-19-10-15-11-20-22(13-15)12-14-5-2-1-3-6-14/h1-11,13,21H,12H2/b19-10-
InChIKeyHHCNGADQCXQQCY-GRSHGNNSSA-N
XLogP4.03
TPSA42.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-benzylideneamino]-3-chloroaniline
CID 6444517
N-[(1-benzylpyrazol-4-yl)methyl]-3-chloroaniline
CID 43503102
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-1,3-benzothiazol-2-amine
CID 8971795
N-[(Z)-[(E)-3-(1-benzyltriazol-4-yl)prop-2-enylidene]amino]-3-chloroaniline
CID 9211953
N-[[3-(1,2,4-triazol-1-ylmethyl)phenyl]methylideneamino]aniline
CID 169383917
N-[[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169383078
3-[(2Z)-2-[(1-benzylpyrazol-4-yl)methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135820851
1-(3-chlorophenyl)-3-[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19344144
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-N-phenylaniline
CID 8972029
3-chloro-N-[(3-phenoxyphenyl)methylideneamino]aniline
CID 78597614
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-2-methylbenzamide
CID 8982077

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline?
The IUPAC name of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline (CID 8972812) is N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline.
What is the SMILES notation for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline?
The canonical SMILES for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline is Clc1cccc(N/N=C\c2cnn(Cc3ccccc3)c2)c1.
What is the InChIKey of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline?
The InChIKey is HHCNGADQCXQQCY-GRSHGNNSSA-N. The full InChI is InChI=1S/C17H15ClN4/c18-16-7-4-8-17(9-16)21-19-10-15-11-20-22(13-15)12-14-5-2-1-3-6-14/h1-11,13,21H,12H2/b19-10-.
What are the key properties of N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline?
N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline has a molecular weight of 310.79 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(1-benzylpyrazol-4-yl)methylideneamino]-3-chloroaniline is sourced from PubChem (CID 8972812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).