N-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine

C12H12FN3 — CID 63048660

IUPACN-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine
SMILESFc1cccc(-c2cc(NC3CC3)n[nH]2)c1
InChIInChI=1S/C12H12FN3/c13-9-3-1-2-8(6-9)11-7-12(16-15-11)14-10-4-5-10/h1-3,6-7,10H,4-5H2,(H2,14,15,16)
InChIKeyXCTVRYXFHSOIDW-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.79
Rot. Bonds3

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

N-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine (PubChem CID 63048660) has the molecular formula C12H12FN3 and a molecular weight of 217.25 g/mol. Its IUPAC name is N-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine
PubChem CID63048660
Molecular FormulaC12H12FN3
Molecular Weight217.25 g/mol
Exact Mass217.10
IUPAC NameN-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine
SMILESFc1cccc(-c2cc(NC3CC3)n[nH]2)c1
InChIInChI=1S/C12H12FN3/c13-9-3-1-2-8(6-9)11-7-12(16-15-11)14-10-4-5-10/h1-3,6-7,10H,4-5H2,(H2,14,15,16)
InChIKeyXCTVRYXFHSOIDW-UHFFFAOYSA-N
XLogP2.79
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine?
The IUPAC name of N-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine (CID 63048660) is N-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine.
What is the SMILES notation for N-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine?
The canonical SMILES for N-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine is Fc1cccc(-c2cc(NC3CC3)n[nH]2)c1.
What is the InChIKey of N-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine?
The InChIKey is XCTVRYXFHSOIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3/c13-9-3-1-2-8(6-9)11-7-12(16-15-11)14-10-4-5-10/h1-3,6-7,10H,4-5H2,(H2,14,15,16).
What are the key properties of N-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine?
N-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine has a molecular weight of 217.25 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-(3-fluorophenyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 63048660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).