2-[[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]amino]-N-(methylcarbamoyl)propanamide

C15H18FN5O2 — CID 91651156

IUPAC2-[[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Nc1cc(C)n(-c2cccc(F)c2)n1
InChIInChI=1S/C15H18FN5O2/c1-9-7-13(18-10(2)14(22)19-15(23)17-3)20-21(9)12-6-4-5-11(16)8-12/h4-8,10H,1-3H3,(H,18,20)(H2,17,19,22,23)
InChIKeyUNRQOGYPAHHESE-UHFFFAOYSA-N
MW319.34 g/mol
LogP1.58
Rot. Bonds4

About 2-[[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]amino]-N-(methylcarbamoyl)propanamide

2-[[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]amino]-N-(methylcarbamoyl)propanamide (PubChem CID 91651156) has the molecular formula C15H18FN5O2 and a molecular weight of 319.34 g/mol. Its IUPAC name is 2-[[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]amino]-N-(methylcarbamoyl)propanamide.

Molecular Properties

Compound Name2-[[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]amino]-N-(methylcarbamoyl)propanamide
PubChem CID91651156
Molecular FormulaC15H18FN5O2
Molecular Weight319.34 g/mol
Exact Mass319.14
IUPAC Name2-[[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]amino]-N-(methylcarbamoyl)propanamide
SMILESCNC(=O)NC(=O)C(C)Nc1cc(C)n(-c2cccc(F)c2)n1
InChIInChI=1S/C15H18FN5O2/c1-9-7-13(18-10(2)14(22)19-15(23)17-3)20-21(9)12-6-4-5-11(16)8-12/h4-8,10H,1-3H3,(H,18,20)(H2,17,19,22,23)
InChIKeyUNRQOGYPAHHESE-UHFFFAOYSA-N
XLogP1.58
TPSA88.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-fluoro-2-methylanilino)-N-(methylcarbamoyl)propanamide
CID 43084052
N-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]-2-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 84596558
2-(5-chloro-2-fluoroanilino)-N-(methylcarbamoyl)propanamide
CID 43385595
1-[3-(aminomethyl)cyclopentyl]-3-[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]urea
CID 166237459
1-(3-fluorophenyl)-N-[1-(furan-2-yl)-2-hydroxyethyl]-5-methylpyrazole-3-carboxamide
CID 110001487
1-(3-fluorophenyl)-N-(1-hydroxy-4-methylpentan-3-yl)-5-methylpyrazole-3-carboxamide
CID 110000140
2,4-difluoro-N-[5-methyl-1-(3-methylphenyl)pyrazol-3-yl]benzamide
CID 46107138
(2S)-2-(2,3-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973670
4-(3-fluorophenyl)-N-methyl-5-oxotetrazole-1-carboxamide
CID 130242142
N-(tert-butylcarbamoyl)-2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]propanamide
CID 51338271
(2R)-2-(2,4-dimethylanilino)-N-(methylcarbamoyl)propanamide
CID 40973673
2-(3-ethylanilino)-N-(methylcarbamoyl)propanamide
CID 43084470

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]amino]-N-(methylcarbamoyl)propanamide?
The IUPAC name of 2-[[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]amino]-N-(methylcarbamoyl)propanamide (CID 91651156) is 2-[[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]amino]-N-(methylcarbamoyl)propanamide.
What is the SMILES notation for 2-[[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]amino]-N-(methylcarbamoyl)propanamide?
The canonical SMILES for 2-[[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]amino]-N-(methylcarbamoyl)propanamide is CNC(=O)NC(=O)C(C)Nc1cc(C)n(-c2cccc(F)c2)n1.
What is the InChIKey of 2-[[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]amino]-N-(methylcarbamoyl)propanamide?
The InChIKey is UNRQOGYPAHHESE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5O2/c1-9-7-13(18-10(2)14(22)19-15(23)17-3)20-21(9)12-6-4-5-11(16)8-12/h4-8,10H,1-3H3,(H,18,20)(H2,17,19,22,23).
What are the key properties of 2-[[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]amino]-N-(methylcarbamoyl)propanamide?
2-[[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]amino]-N-(methylcarbamoyl)propanamide has a molecular weight of 319.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-fluorophenyl)-5-methylpyrazol-3-yl]amino]-N-(methylcarbamoyl)propanamide is sourced from PubChem (CID 91651156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).