4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine

C9H8ClFN4 — CID 82234948

IUPAC4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine
SMILESNc1[nH]ncc1Nc1cccc(Cl)c1F
InChIInChI=1S/C9H8ClFN4/c10-5-2-1-3-6(8(5)11)14-7-4-13-15-9(7)12/h1-4,14H,(H3,12,13,15)
InChIKeyKKZILVMYFWUKAB-UHFFFAOYSA-N
MW226.64 g/mol
LogP2.53
Rot. Bonds2

About 4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine

4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine (PubChem CID 82234948) has the molecular formula C9H8ClFN4 and a molecular weight of 226.64 g/mol. Its IUPAC name is 4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine
PubChem CID82234948
Molecular FormulaC9H8ClFN4
Molecular Weight226.64 g/mol
Exact Mass226.04
IUPAC Name4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine
SMILESNc1[nH]ncc1Nc1cccc(Cl)c1F
InChIInChI=1S/C9H8ClFN4/c10-5-2-1-3-6(8(5)11)14-7-4-13-15-9(7)12/h1-4,14H,(H3,12,13,15)
InChIKeyKKZILVMYFWUKAB-UHFFFAOYSA-N
XLogP2.53
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 52.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine
CID 82803223
4-N-(3-chlorophenyl)-1H-pyrazole-4,5-diamine
CID 57126804
4-N-(3,4-dichlorophenyl)-1H-pyrazole-4,5-diamine
CID 114991830
3-N-(3-chloro-2-fluorophenyl)-2-methylbenzene-1,3-diamine
CID 55147951
2-chloro-6-(3-chloro-2-fluoroanilino)benzenecarbothioamide
CID 62502117
5-chloro-4-N-(3-chloro-2-fluorophenyl)pyrimidine-2,4-diamine
CID 80755029
4-N-(3-chloro-2-fluorophenyl)-6-(trifluoromethyl)pyridine-3,4-diamine
CID 106747254
3-bromo-N-(3-chloro-2-fluorophenyl)pyridin-4-amine
CID 104777887
2-amino-3-(3-chloro-2-fluoroanilino)benzenesulfonamide
CID 115992346
6-N-(3-chloro-2-fluorophenyl)-3,5-difluoropyridine-2,6-diamine
CID 114073969
4-N-(2-ethylphenyl)-1H-pyrazole-4,5-diamine
CID 82236252
3-amino-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 64524808

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine (CID 82234948) is 4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine is Nc1[nH]ncc1Nc1cccc(Cl)c1F.
What is the InChIKey of 4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine?
The InChIKey is KKZILVMYFWUKAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4/c10-5-2-1-3-6(8(5)11)14-7-4-13-15-9(7)12/h1-4,14H,(H3,12,13,15).
What are the key properties of 4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine?
4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine has a molecular weight of 226.64 g/mol, XLogP of 2.53, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-2-fluorophenyl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 82234948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).