N-(4-chloro-2-fluorophenyl)-1H-pyrazol-5-amine

C9H7ClFN3 — CID 90754522

IUPACN-(4-chloro-2-fluorophenyl)-1H-pyrazol-5-amine
SMILESFc1cc(Cl)ccc1Nc1ccn[nH]1
InChIInChI=1S/C9H7ClFN3/c10-6-1-2-8(7(11)5-6)13-9-3-4-12-14-9/h1-5H,(H2,12,13,14)
InChIKeyNLWITJPRANAFMA-UHFFFAOYSA-N
MW211.63 g/mol
LogP2.95
Rot. Bonds2

About N-(4-chloro-2-fluorophenyl)-1H-pyrazol-5-amine

N-(4-chloro-2-fluorophenyl)-1H-pyrazol-5-amine (PubChem CID 90754522) has the molecular formula C9H7ClFN3 and a molecular weight of 211.63 g/mol. Its IUPAC name is N-(4-chloro-2-fluorophenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound NameN-(4-chloro-2-fluorophenyl)-1H-pyrazol-5-amine
PubChem CID90754522
Molecular FormulaC9H7ClFN3
Molecular Weight211.63 g/mol
Exact Mass211.03
IUPAC NameN-(4-chloro-2-fluorophenyl)-1H-pyrazol-5-amine
SMILESFc1cc(Cl)ccc1Nc1ccn[nH]1
InChIInChI=1S/C9H7ClFN3/c10-6-1-2-8(7(11)5-6)13-9-3-4-12-14-9/h1-5H,(H2,12,13,14)
InChIKeyNLWITJPRANAFMA-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-(4-chloro-2-fluorophenyl)-1H-pyrazol-5-amine?
The IUPAC name of N-(4-chloro-2-fluorophenyl)-1H-pyrazol-5-amine (CID 90754522) is N-(4-chloro-2-fluorophenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for N-(4-chloro-2-fluorophenyl)-1H-pyrazol-5-amine?
The canonical SMILES for N-(4-chloro-2-fluorophenyl)-1H-pyrazol-5-amine is Fc1cc(Cl)ccc1Nc1ccn[nH]1.
What is the InChIKey of N-(4-chloro-2-fluorophenyl)-1H-pyrazol-5-amine?
The InChIKey is NLWITJPRANAFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClFN3/c10-6-1-2-8(7(11)5-6)13-9-3-4-12-14-9/h1-5H,(H2,12,13,14).
What are the key properties of N-(4-chloro-2-fluorophenyl)-1H-pyrazol-5-amine?
N-(4-chloro-2-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-(4-chloro-2-fluorophenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 90754522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).