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

CID 65695
CID 65695
CID 16026399
CID 16026399
CID 49862333
CID 49862333
CID 49862399
CID 49862399
CID 2356870
CID 2356870
CID 2816321
CID 2816321
CID 2816322
CID 2816322
CID 71287781
CID 71287781
CID 71287882
CID 71287882
CID 89465846
CID 89465846
CID 89476579
CID 89476579
CID 89476596
CID 89476596

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).