3-[3-[(2-fluoro-5-methylphenyl)methylamino]pyrazol-1-yl]propanamide

C14H17FN4O — CID 71914470

IUPAC3-[3-[(2-fluoro-5-methylphenyl)methylamino]pyrazol-1-yl]propanamide
SMILESCc1ccc(F)c(CNc2ccn(CCC(N)=O)n2)c1
InChIInChI=1S/C14H17FN4O/c1-10-2-3-12(15)11(8-10)9-17-14-5-7-19(18-14)6-4-13(16)20/h2-3,5,7-8H,4,6,9H2,1H3,(H2,16,20)(H,17,18)
InChIKeyNMJNZCSUYXLPPW-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.82
Rot. Bonds6

About 3-[3-[(2-fluoro-5-methylphenyl)methylamino]pyrazol-1-yl]propanamide

3-[3-[(2-fluoro-5-methylphenyl)methylamino]pyrazol-1-yl]propanamide (PubChem CID 71914470) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is 3-[3-[(2-fluoro-5-methylphenyl)methylamino]pyrazol-1-yl]propanamide.

Molecular Properties

Compound Name3-[3-[(2-fluoro-5-methylphenyl)methylamino]pyrazol-1-yl]propanamide
PubChem CID71914470
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name3-[3-[(2-fluoro-5-methylphenyl)methylamino]pyrazol-1-yl]propanamide
SMILESCc1ccc(F)c(CNc2ccn(CCC(N)=O)n2)c1
InChIInChI=1S/C14H17FN4O/c1-10-2-3-12(15)11(8-10)9-17-14-5-7-19(18-14)6-4-13(16)20/h2-3,5,7-8H,4,6,9H2,1H3,(H2,16,20)(H,17,18)
InChIKeyNMJNZCSUYXLPPW-UHFFFAOYSA-N
XLogP1.82
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[3-[(2-fluoro-5-methylphenyl)methylamino]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
3-[3-[(2-bromo-4,5-dimethoxyphenyl)methylamino]pyrazol-1-yl]propanamide
CID 71847996
3-[3-(propan-2-ylamino)pyrazol-1-yl]propanamide
CID 115885206
3-[3-(1-benzothiophen-2-ylmethylamino)pyrazol-1-yl]propanamide
CID 75384490
4-[(2-fluoro-5-methylphenyl)methylamino]benzamide
CID 103830288
3-[3-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]pyrazol-1-yl]propanamide
CID 99696910
3-[3-[[(1R,6R)-2,6-dimethylcyclohex-2-en-1-yl]methylamino]pyrazol-1-yl]propanamide
CID 99696909
3-[3-[(2-chloro-4-fluorophenyl)carbamoylamino]pyrazol-1-yl]propanamide
CID 75524673
N-[1-(3-amino-3-oxopropyl)pyrazol-3-yl]-1-(2,5-dimethylphenyl)benzimidazole-5-carboxamide
CID 167831919
2-fluoro-N-[(2-fluoro-5-methylphenyl)methyl]-5-methylaniline
CID 114053781
3-(3-ethylpyrazol-1-yl)propanamide
CID 142785643
3-[3-[[(2R)-1-(3-chlorophenyl)propan-2-yl]amino]pyrazol-1-yl]propanamide
CID 125141654

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(2-fluoro-5-methylphenyl)methylamino]pyrazol-1-yl]propanamide?
The IUPAC name of 3-[3-[(2-fluoro-5-methylphenyl)methylamino]pyrazol-1-yl]propanamide (CID 71914470) is 3-[3-[(2-fluoro-5-methylphenyl)methylamino]pyrazol-1-yl]propanamide.
What is the SMILES notation for 3-[3-[(2-fluoro-5-methylphenyl)methylamino]pyrazol-1-yl]propanamide?
The canonical SMILES for 3-[3-[(2-fluoro-5-methylphenyl)methylamino]pyrazol-1-yl]propanamide is Cc1ccc(F)c(CNc2ccn(CCC(N)=O)n2)c1.
What is the InChIKey of 3-[3-[(2-fluoro-5-methylphenyl)methylamino]pyrazol-1-yl]propanamide?
The InChIKey is NMJNZCSUYXLPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-10-2-3-12(15)11(8-10)9-17-14-5-7-19(18-14)6-4-13(16)20/h2-3,5,7-8H,4,6,9H2,1H3,(H2,16,20)(H,17,18).
What are the key properties of 3-[3-[(2-fluoro-5-methylphenyl)methylamino]pyrazol-1-yl]propanamide?
3-[3-[(2-fluoro-5-methylphenyl)methylamino]pyrazol-1-yl]propanamide has a molecular weight of 276.32 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(2-fluoro-5-methylphenyl)methylamino]pyrazol-1-yl]propanamide is sourced from PubChem (CID 71914470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).