N-[1-(3-amino-4-fluorophenyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

C19H16F2N4O — CID 134596979

IUPACN-[1-(3-amino-4-fluorophenyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESNc1cc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)ccc1F
InChIInChI=1S/C19H16F2N4O/c20-14-4-2-1-3-13(14)19(8-9-19)18(26)23-17-7-10-25(24-17)12-5-6-15(21)16(22)11-12/h1-7,10-11H,8-9,22H2,(H,23,24,26)
InChIKeyXASAOMQEUHZDQE-UHFFFAOYSA-N
MW354.36 g/mol
LogP3.40
Rot. Bonds4

About N-[1-(3-amino-4-fluorophenyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide

N-[1-(3-amino-4-fluorophenyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (PubChem CID 134596979) has the molecular formula C19H16F2N4O and a molecular weight of 354.36 g/mol. Its IUPAC name is N-[1-(3-amino-4-fluorophenyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(3-amino-4-fluorophenyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
PubChem CID134596979
Molecular FormulaC19H16F2N4O
Molecular Weight354.36 g/mol
Exact Mass354.13
IUPAC NameN-[1-(3-amino-4-fluorophenyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide
SMILESNc1cc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)ccc1F
InChIInChI=1S/C19H16F2N4O/c20-14-4-2-1-3-13(14)19(8-9-19)18(26)23-17-7-10-25(24-17)12-5-6-15(21)16(22)11-12/h1-7,10-11H,8-9,22H2,(H,23,24,26)
InChIKeyXASAOMQEUHZDQE-UHFFFAOYSA-N
XLogP3.40
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.36
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-amino-4-fluorophenyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The IUPAC name of N-[1-(3-amino-4-fluorophenyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide (CID 134596979) is N-[1-(3-amino-4-fluorophenyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(3-amino-4-fluorophenyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(3-amino-4-fluorophenyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is Nc1cc(-n2ccc(NC(=O)C3(c4ccccc4F)CC3)n2)ccc1F.
What is the InChIKey of N-[1-(3-amino-4-fluorophenyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
The InChIKey is XASAOMQEUHZDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N4O/c20-14-4-2-1-3-13(14)19(8-9-19)18(26)23-17-7-10-25(24-17)12-5-6-15(21)16(22)11-12/h1-7,10-11H,8-9,22H2,(H,23,24,26).
What are the key properties of N-[1-(3-amino-4-fluorophenyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide?
N-[1-(3-amino-4-fluorophenyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide has a molecular weight of 354.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-amino-4-fluorophenyl)pyrazol-3-yl]-1-(2-fluorophenyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 134596979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).