N-carbamoyl-3-[3-(4-fluorophenyl)pyrazol-1-yl]propanamide

C13H13FN4O2 — CID 75432706

IUPACN-carbamoyl-3-[3-(4-fluorophenyl)pyrazol-1-yl]propanamide
SMILESNC(=O)NC(=O)CCn1ccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H13FN4O2/c14-10-3-1-9(2-4-10)11-5-7-18(17-11)8-6-12(19)16-13(15)20/h1-5,7H,6,8H2,(H3,15,16,19,20)
InChIKeyNAEKDQLLXCHINZ-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.27
Rot. Bonds4

About N-carbamoyl-3-[3-(4-fluorophenyl)pyrazol-1-yl]propanamide

N-carbamoyl-3-[3-(4-fluorophenyl)pyrazol-1-yl]propanamide (PubChem CID 75432706) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is N-carbamoyl-3-[3-(4-fluorophenyl)pyrazol-1-yl]propanamide.

Molecular Properties

Compound NameN-carbamoyl-3-[3-(4-fluorophenyl)pyrazol-1-yl]propanamide
PubChem CID75432706
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC NameN-carbamoyl-3-[3-(4-fluorophenyl)pyrazol-1-yl]propanamide
SMILESNC(=O)NC(=O)CCn1ccc(-c2ccc(F)cc2)n1
InChIInChI=1S/C13H13FN4O2/c14-10-3-1-9(2-4-10)11-5-7-18(17-11)8-6-12(19)16-13(15)20/h1-5,7H,6,8H2,(H3,15,16,19,20)
InChIKeyNAEKDQLLXCHINZ-UHFFFAOYSA-N
XLogP1.27
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-3-[3-(4-fluorophenyl)pyrazol-1-yl]propanamide?
The IUPAC name of N-carbamoyl-3-[3-(4-fluorophenyl)pyrazol-1-yl]propanamide (CID 75432706) is N-carbamoyl-3-[3-(4-fluorophenyl)pyrazol-1-yl]propanamide.
What is the SMILES notation for N-carbamoyl-3-[3-(4-fluorophenyl)pyrazol-1-yl]propanamide?
The canonical SMILES for N-carbamoyl-3-[3-(4-fluorophenyl)pyrazol-1-yl]propanamide is NC(=O)NC(=O)CCn1ccc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-carbamoyl-3-[3-(4-fluorophenyl)pyrazol-1-yl]propanamide?
The InChIKey is NAEKDQLLXCHINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2/c14-10-3-1-9(2-4-10)11-5-7-18(17-11)8-6-12(19)16-13(15)20/h1-5,7H,6,8H2,(H3,15,16,19,20).
What are the key properties of N-carbamoyl-3-[3-(4-fluorophenyl)pyrazol-1-yl]propanamide?
N-carbamoyl-3-[3-(4-fluorophenyl)pyrazol-1-yl]propanamide has a molecular weight of 276.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-3-[3-(4-fluorophenyl)pyrazol-1-yl]propanamide is sourced from PubChem (CID 75432706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).