N-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-amine

C9H7ClFN3 — CID 145468375

IUPACN-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-amine
SMILESFc1ccc(Nc2ccn[nH]2)cc1Cl
InChIInChI=1S/C9H7ClFN3/c10-7-5-6(1-2-8(7)11)13-9-3-4-12-14-9/h1-5H,(H2,12,13,14)
InChIKeyHGIPXNWKQVPBRI-UHFFFAOYSA-N
MW211.63 g/mol
LogP2.95
Rot. Bonds2

About N-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-amine

N-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-amine (PubChem CID 145468375) has the molecular formula C9H7ClFN3 and a molecular weight of 211.63 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-amine
PubChem CID145468375
Molecular FormulaC9H7ClFN3
Molecular Weight211.63 g/mol
Exact Mass211.03
IUPAC NameN-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-amine
SMILESFc1ccc(Nc2ccn[nH]2)cc1Cl
InChIInChI=1S/C9H7ClFN3/c10-7-5-6(1-2-8(7)11)13-9-3-4-12-14-9/h1-5H,(H2,12,13,14)
InChIKeyHGIPXNWKQVPBRI-UHFFFAOYSA-N
XLogP2.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.63
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-amine?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-amine (CID 145468375) is N-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-amine is Fc1ccc(Nc2ccn[nH]2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-amine?
The InChIKey is HGIPXNWKQVPBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3/c10-7-5-6(1-2-8(7)11)13-9-3-4-12-14-9/h1-5H,(H2,12,13,14).
What are the key properties of N-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-amine?
N-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-amine has a molecular weight of 211.63 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 145468375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).