3-[3-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide

C13H13ClFN5O2 — CID 75524673

IUPAC3-[3-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide
SMILESNC(=O)CCn1ccc(NC(=O)Nc2ccc(F)cc2Cl)n1
InChIInChI=1S/C13H13ClFN5O2/c14-9-7-8(15)1-2-10(9)17-13(22)18-12-4-6-20(19-12)5-3-11(16)21/h1-2,4,6-7H,3,5H2,(H2,16,21)(H2,17,18,19,22)
InChIKeyBNTZVUKZROHYQZ-UHFFFAOYSA-N
MW325.73 g/mol
LogP2.19
Rot. Bonds5

About 3-[3-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide

3-[3-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide (PubChem CID 75524673) has the molecular formula C13H13ClFN5O2 and a molecular weight of 325.73 g/mol. Its IUPAC name is 3-[3-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide
PubChem CID75524673
Molecular FormulaC13H13ClFN5O2
Molecular Weight325.73 g/mol
Exact Mass325.07
IUPAC Name3-[3-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide
SMILESNC(=O)CCn1ccc(NC(=O)Nc2ccc(F)cc2Cl)n1
InChIInChI=1S/C13H13ClFN5O2/c14-9-7-8(15)1-2-10(9)17-13(22)18-12-4-6-20(19-12)5-3-11(16)21/h1-2,4,6-7H,3,5H2,(H2,16,21)(H2,17,18,19,22)
InChIKeyBNTZVUKZROHYQZ-UHFFFAOYSA-N
XLogP2.19
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.73
LogP ≤ 52.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 3-[3-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[(2-bromo-5-fluorophenyl)methylamino]pyrazol-1-yl]propanamide
CID 75393027
2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19402865
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-ethylbutanamide
CID 19402868
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 4773476
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2-methoxybenzamide
CID 19402880
3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide
CID 115885206
(E)-3-(2-chloro-4-fluorophenyl)-N-[1-(5-oxohexyl)pyrazol-3-yl]prop-2-enamide
CID 66928913
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-3-(5-methylpyrazol-1-yl)propanamide
CID 19569956
1-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-naphthalen-1-ylurea
CID 17380821
(2S)-2-amino-N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-3-phenylpropanamide
CID 119328467
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476178
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19403011

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide?
The IUPAC name of 3-[3-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide (CID 75524673) is 3-[3-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[3-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide is NC(=O)CCn1ccc(NC(=O)Nc2ccc(F)cc2Cl)n1.
What is the InChIKey of 3-[3-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide?
The InChIKey is BNTZVUKZROHYQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN5O2/c14-9-7-8(15)1-2-10(9)17-13(22)18-12-4-6-20(19-12)5-3-11(16)21/h1-2,4,6-7H,3,5H2,(H2,16,21)(H2,17,18,19,22).
What are the key properties of 3-[3-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide?
3-[3-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide has a molecular weight of 325.73 g/mol, XLogP of 2.19, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide is sourced from PubChem (CID 75524673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).