4-N-(3-chlorophenyl)-5-N-(4-iodophenyl)-1H-pyrazole-4,5-diamine

C15H12ClIN4 — CID 57295767

IUPAC4-N-(3-chlorophenyl)-5-N-(4-iodophenyl)-1H-pyrazole-4,5-diamine
SMILESClc1cccc(Nc2cn[nH]c2Nc2ccc(I)cc2)c1
InChIInChI=1S/C15H12ClIN4/c16-10-2-1-3-13(8-10)19-14-9-18-21-15(14)20-12-6-4-11(17)5-7-12/h1-9,19H,(H2,18,20,21)
InChIKeyYFRUVJSTBFHBOD-UHFFFAOYSA-N
MW410.65 g/mol
LogP5.15
Rot. Bonds4

About 4-N-(3-chlorophenyl)-5-N-(4-iodophenyl)-1H-pyrazole-4,5-diamine

4-N-(3-chlorophenyl)-5-N-(4-iodophenyl)-1H-pyrazole-4,5-diamine (PubChem CID 57295767) has the molecular formula C15H12ClIN4 and a molecular weight of 410.65 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-5-N-(4-iodophenyl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-5-N-(4-iodophenyl)-1H-pyrazole-4,5-diamine
PubChem CID57295767
Molecular FormulaC15H12ClIN4
Molecular Weight410.65 g/mol
Exact Mass409.98
IUPAC Name4-N-(3-chlorophenyl)-5-N-(4-iodophenyl)-1H-pyrazole-4,5-diamine
SMILESClc1cccc(Nc2cn[nH]c2Nc2ccc(I)cc2)c1
InChIInChI=1S/C15H12ClIN4/c16-10-2-1-3-13(8-10)19-14-9-18-21-15(14)20-12-6-4-11(17)5-7-12/h1-9,19H,(H2,18,20,21)
InChIKeyYFRUVJSTBFHBOD-UHFFFAOYSA-N
XLogP5.15
TPSA52.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.65
LogP ≤ 55.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine
CID 57126804
N-[4-(3-chloroanilino)-1H-pyrazol-5-yl]methanesulfonamide
CID 57244208
N-[4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]phenyl]formamide
CID 57071330
2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethylurea
CID 57098049
N-[2-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]ethyl]benzamide
CID 57263599
N-[4-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]-4-methylbenzenesulfonamide
CID 67645185
4-[[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]methyl]-2,6-dimethoxyphenol
CID 57166762
benzyl N-[4-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]carbamate
CID 57312044
ethyl N-[(2S)-1-[[4-(3-chloroanilino)-1H-pyrazol-5-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 56987114
N-[3-[4-(3-chloroanilino)-1H-pyrazol-5-yl]phenyl]propanamide
CID 57298787
N-(3-chlorophenyl)-4-iodopyridin-2-amine
CID 86236330
3-N-(4-aminophenyl)-4-N-(3-chlorophenyl)-2H-pyrazolo[3,4-d]pyrimidine-3,4-diamine;hydrochloride
CID 19610615

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-5-N-(4-iodophenyl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-5-N-(4-iodophenyl)-1H-pyrazole-4,5-diamine (CID 57295767) is 4-N-(3-chlorophenyl)-5-N-(4-iodophenyl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-5-N-(4-iodophenyl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-5-N-(4-iodophenyl)-1H-pyrazole-4,5-diamine is Clc1cccc(Nc2cn[nH]c2Nc2ccc(I)cc2)c1.
What is the InChIKey of 4-N-(3-chlorophenyl)-5-N-(4-iodophenyl)-1H-pyrazole-4,5-diamine?
The InChIKey is YFRUVJSTBFHBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClIN4/c16-10-2-1-3-13(8-10)19-14-9-18-21-15(14)20-12-6-4-11(17)5-7-12/h1-9,19H,(H2,18,20,21).
What are the key properties of 4-N-(3-chlorophenyl)-5-N-(4-iodophenyl)-1H-pyrazole-4,5-diamine?
4-N-(3-chlorophenyl)-5-N-(4-iodophenyl)-1H-pyrazole-4,5-diamine has a molecular weight of 410.65 g/mol, XLogP of 5.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-5-N-(4-iodophenyl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 57295767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).