2,4-dichloro-N-[3-(1H-pyrazol-4-yl)phenyl]aniline

C15H11Cl2N3 — CID 166596676

IUPAC2,4-dichloro-N-[3-(1H-pyrazol-4-yl)phenyl]aniline
SMILESClc1ccc(Nc2cccc(-c3cn[nH]c3)c2)c(Cl)c1
InChIInChI=1S/C15H11Cl2N3/c16-12-4-5-15(14(17)7-12)20-13-3-1-2-10(6-13)11-8-18-19-9-11/h1-9,20H,(H,18,19)
InChIKeyIFBHANPQENNBBD-UHFFFAOYSA-N
MW304.18 g/mol
LogP5.13
Rot. Bonds3

About 2,4-dichloro-N-[3-(1H-pyrazol-4-yl)phenyl]aniline

2,4-dichloro-N-[3-(1H-pyrazol-4-yl)phenyl]aniline (PubChem CID 166596676) has the molecular formula C15H11Cl2N3 and a molecular weight of 304.18 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-(1H-pyrazol-4-yl)phenyl]aniline.

Molecular Properties

Compound Name2,4-dichloro-N-[3-(1H-pyrazol-4-yl)phenyl]aniline
PubChem CID166596676
Molecular FormulaC15H11Cl2N3
Molecular Weight304.18 g/mol
Exact Mass303.03
IUPAC Name2,4-dichloro-N-[3-(1H-pyrazol-4-yl)phenyl]aniline
SMILESClc1ccc(Nc2cccc(-c3cn[nH]c3)c2)c(Cl)c1
InChIInChI=1S/C15H11Cl2N3/c16-12-4-5-15(14(17)7-12)20-13-3-1-2-10(6-13)11-8-18-19-9-11/h1-9,20H,(H,18,19)
InChIKeyIFBHANPQENNBBD-UHFFFAOYSA-N
XLogP5.13
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.18
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-(1H-pyrazol-4-yl)phenyl]cyclopropanecarboxamide
CID 166188841
N-(2,4-dichlorophenyl)-1H-pyrazole-4-sulfonamide
CID 47267509
4-(3-chlorophenyl)-N-(2,4-dichlorophenyl)-1,3-thiazol-2-amine
CID 53338316
4-(1H-pyrazol-4-yl)-1H-pyrazole
CID 2422340
4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine
CID 57126804
O-[(4-chlorophenyl)-[4-(1H-pyrazol-4-yl)phenyl]methyl]hydroxylamine
CID 145474090
3-chloro-4-(3-chloroanilino)benzonitrile
CID 63510074
2-chloro-1-N,4-N-diphenylbenzene-1,4-diamine
CID 158558488
1-[1-methyl-3-[3-(1H-pyrazol-4-yl)anilino]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373231
3-N-(2,4-dichlorophenyl)-5-N-(3-fluorophenyl)-1,2,4-triazine-3,5-diamine
CID 112969085
4-[4-(4-chlorophenoxy)phenyl]-1H-pyrazole
CID 118191758
3-N-(4-chloro-2-fluorophenyl)benzene-1,3-diamine
CID 61469504

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-(1H-pyrazol-4-yl)phenyl]aniline?
The IUPAC name of 2,4-dichloro-N-[3-(1H-pyrazol-4-yl)phenyl]aniline (CID 166596676) is 2,4-dichloro-N-[3-(1H-pyrazol-4-yl)phenyl]aniline.
What is the SMILES notation for 2,4-dichloro-N-[3-(1H-pyrazol-4-yl)phenyl]aniline?
The canonical SMILES for 2,4-dichloro-N-[3-(1H-pyrazol-4-yl)phenyl]aniline is Clc1ccc(Nc2cccc(-c3cn[nH]c3)c2)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[3-(1H-pyrazol-4-yl)phenyl]aniline?
The InChIKey is IFBHANPQENNBBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3/c16-12-4-5-15(14(17)7-12)20-13-3-1-2-10(6-13)11-8-18-19-9-11/h1-9,20H,(H,18,19).
What are the key properties of 2,4-dichloro-N-[3-(1H-pyrazol-4-yl)phenyl]aniline?
2,4-dichloro-N-[3-(1H-pyrazol-4-yl)phenyl]aniline has a molecular weight of 304.18 g/mol, XLogP of 5.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-(1H-pyrazol-4-yl)phenyl]aniline is sourced from PubChem (CID 166596676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).