4-(3-chloro-2-fluorophenyl)-5-(furan-2-yl)-1H-pyrazol-3-amine

C13H9ClFN3O — CID 82803460

IUPAC4-(3-chloro-2-fluorophenyl)-5-(furan-2-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccco2)c1-c1cccc(Cl)c1F
InChIInChI=1S/C13H9ClFN3O/c14-8-4-1-3-7(11(8)15)10-12(17-18-13(10)16)9-5-2-6-19-9/h1-6H,(H3,16,17,18)
InChIKeyVCPWPKPCSVRVHA-UHFFFAOYSA-N
MW277.69 g/mol
LogP3.71
Rot. Bonds2

About 4-(3-chloro-2-fluorophenyl)-5-(furan-2-yl)-1H-pyrazol-3-amine

4-(3-chloro-2-fluorophenyl)-5-(furan-2-yl)-1H-pyrazol-3-amine (PubChem CID 82803460) has the molecular formula C13H9ClFN3O and a molecular weight of 277.69 g/mol. Its IUPAC name is 4-(3-chloro-2-fluorophenyl)-5-(furan-2-yl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(3-chloro-2-fluorophenyl)-5-(furan-2-yl)-1H-pyrazol-3-amine
PubChem CID82803460
Molecular FormulaC13H9ClFN3O
Molecular Weight277.69 g/mol
Exact Mass277.04
IUPAC Name4-(3-chloro-2-fluorophenyl)-5-(furan-2-yl)-1H-pyrazol-3-amine
SMILESNc1n[nH]c(-c2ccco2)c1-c1cccc(Cl)c1F
InChIInChI=1S/C13H9ClFN3O/c14-8-4-1-3-7(11(8)15)10-12(17-18-13(10)16)9-5-2-6-19-9/h1-6H,(H3,16,17,18)
InChIKeyVCPWPKPCSVRVHA-UHFFFAOYSA-N
XLogP3.71
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.69
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-bromofuran-2-yl)-4-(3-chloro-2-fluorophenyl)-1H-pyrazol-3-amine
CID 82802663
4-(3-chloro-2-fluorophenyl)-5-(1-methylpyrazol-3-yl)-1H-pyrazol-3-amine
CID 103118931
4-(3-chloro-2-fluorophenyl)-5-(3-chlorophenyl)-1H-pyrazol-3-amine
CID 82788626
5-(3-chloro-2-fluorophenyl)-4-(2-methylphenyl)-1H-pyrazol-3-amine
CID 81266285
4-(3-chloro-2-fluorophenyl)-5-(3-methylphenyl)-1H-pyrazol-3-amine
CID 82788631
4-(3-chloro-2-fluorophenyl)-5-(5-iodothiophen-3-yl)-1H-pyrazol-3-amine
CID 82802446
5-(furan-2-yl)-4-pyridin-4-yl-1H-pyrazol-3-amine
CID 80524531
4-(3-chloro-2-fluorophenyl)-5-(2-methylbutyl)-1H-pyrazol-3-amine
CID 114875056
5-(3-chloro-2-fluorophenyl)-4-(2-methylpropyl)-1H-pyrazol-3-amine
CID 81266292
4-(3-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1,2-oxazol-3-amine
CID 82793122
4-(2-bromophenyl)-5-(2-chlorophenyl)-1H-pyrazol-3-amine
CID 62829467
4-(3-chloro-2-fluorophenyl)-1H-pyrazol-5-amine
CID 82803223

Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-(furan-2-yl)-1H-pyrazol-3-amine?
The IUPAC name of 4-(3-chloro-2-fluorophenyl)-5-(furan-2-yl)-1H-pyrazol-3-amine (CID 82803460) is 4-(3-chloro-2-fluorophenyl)-5-(furan-2-yl)-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(3-chloro-2-fluorophenyl)-5-(furan-2-yl)-1H-pyrazol-3-amine?
The canonical SMILES for 4-(3-chloro-2-fluorophenyl)-5-(furan-2-yl)-1H-pyrazol-3-amine is Nc1n[nH]c(-c2ccco2)c1-c1cccc(Cl)c1F.
What is the InChIKey of 4-(3-chloro-2-fluorophenyl)-5-(furan-2-yl)-1H-pyrazol-3-amine?
The InChIKey is VCPWPKPCSVRVHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O/c14-8-4-1-3-7(11(8)15)10-12(17-18-13(10)16)9-5-2-6-19-9/h1-6H,(H3,16,17,18).
What are the key properties of 4-(3-chloro-2-fluorophenyl)-5-(furan-2-yl)-1H-pyrazol-3-amine?
4-(3-chloro-2-fluorophenyl)-5-(furan-2-yl)-1H-pyrazol-3-amine has a molecular weight of 277.69 g/mol, XLogP of 3.71, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2-fluorophenyl)-5-(furan-2-yl)-1H-pyrazol-3-amine is sourced from PubChem (CID 82803460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).