N'-[5-cyclopropyl-1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine

C15H19FN4 — CID 117210819

IUPACN'-[5-cyclopropyl-1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine
SMILESNCCCNc1cnn(-c2ccccc2F)c1C1CC1
InChIInChI=1S/C15H19FN4/c16-12-4-1-2-5-14(12)20-15(11-6-7-11)13(10-19-20)18-9-3-8-17/h1-2,4-5,10-11,18H,3,6-9,17H2
InChIKeyHRPCGRMVNWAYJU-UHFFFAOYSA-N
MW274.34 g/mol
LogP2.65
Rot. Bonds6

About N'-[5-cyclopropyl-1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine

N'-[5-cyclopropyl-1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine (PubChem CID 117210819) has the molecular formula C15H19FN4 and a molecular weight of 274.34 g/mol. Its IUPAC name is N'-[5-cyclopropyl-1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[5-cyclopropyl-1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine
PubChem CID117210819
Molecular FormulaC15H19FN4
Molecular Weight274.34 g/mol
Exact Mass274.16
IUPAC NameN'-[5-cyclopropyl-1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine
SMILESNCCCNc1cnn(-c2ccccc2F)c1C1CC1
InChIInChI=1S/C15H19FN4/c16-12-4-1-2-5-14(12)20-15(11-6-7-11)13(10-19-20)18-9-3-8-17/h1-2,4-5,10-11,18H,3,6-9,17H2
InChIKeyHRPCGRMVNWAYJU-UHFFFAOYSA-N
XLogP2.65
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.34
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[5-cyclopropyl-1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine?
The IUPAC name of N'-[5-cyclopropyl-1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine (CID 117210819) is N'-[5-cyclopropyl-1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine.
What is the SMILES notation for N'-[5-cyclopropyl-1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine?
The canonical SMILES for N'-[5-cyclopropyl-1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine is NCCCNc1cnn(-c2ccccc2F)c1C1CC1.
What is the InChIKey of N'-[5-cyclopropyl-1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine?
The InChIKey is HRPCGRMVNWAYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4/c16-12-4-1-2-5-14(12)20-15(11-6-7-11)13(10-19-20)18-9-3-8-17/h1-2,4-5,10-11,18H,3,6-9,17H2.
What are the key properties of N'-[5-cyclopropyl-1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine?
N'-[5-cyclopropyl-1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine has a molecular weight of 274.34 g/mol, XLogP of 2.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[5-cyclopropyl-1-(2-fluorophenyl)pyrazol-4-yl]propane-1,3-diamine is sourced from PubChem (CID 117210819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).