methyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate

C17H20FN3O3 — CID 78868120

IUPACmethyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)c1ccn(-c2ccc(F)cc2)n1)C(=O)OC
InChIInChI=1S/C17H20FN3O3/c1-4-11(2)15(17(23)24-3)19-16(22)14-9-10-21(20-14)13-7-5-12(18)6-8-13/h5-11,15H,4H2,1-3H3,(H,19,22)
InChIKeyWLZABTZWUHTSHB-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.33
Rot. Bonds6

About methyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate

methyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate (PubChem CID 78868120) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is methyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate
PubChem CID78868120
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Namemethyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate
SMILESCCC(C)C(NC(=O)c1ccn(-c2ccc(F)cc2)n1)C(=O)OC
InChIInChI=1S/C17H20FN3O3/c1-4-11(2)15(17(23)24-3)19-16(22)14-9-10-21(20-14)13-7-5-12(18)6-8-13/h5-11,15H,4H2,1-3H3,(H,19,22)
InChIKeyWLZABTZWUHTSHB-UHFFFAOYSA-N
XLogP2.33
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[(1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119211592
1-(4-fluorophenyl)-N-[1-(2-methoxyphenyl)ethyl]pyrazole-3-carboxamide
CID 43071731
N-(1-aminohexan-2-yl)-1-(4-fluorophenyl)pyrazole-3-carboxamide;hydrochloride
CID 119665097
(2S,3S)-2-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]-3-methylpentanoic acid
CID 119194132
methyl (2S)-2-[(1-phenylpyrazole-3-carbonyl)amino]propanoate
CID 87040358
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 38704884
3-methyl-2-[[1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]pentanoic acid
CID 119211933
N-[2-(ethylamino)-2-oxoethyl]-1-(4-fluorophenyl)pyrazole-3-carboxamide
CID 55650471
methyl (2S,3R)-2-[[4-(4-fluorophenyl)piperazine-1-carbonyl]amino]-3-methylpentanoate
CID 2012778
2-[[1-(4-methoxyphenyl)pyrazole-3-carbonyl]amino]butanoic acid
CID 119223991
methyl (2R,3S)-2-[[4-fluoro-2-(tetrazol-1-yl)benzoyl]amino]-3-methylpentanoate
CID 96565035
1-(4-fluorophenyl)-N-[2-(2-hydroxyethyl)pentyl]pyrazole-3-carboxamide
CID 111662239

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate?
The IUPAC name of methyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate (CID 78868120) is methyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate.
What is the SMILES notation for methyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate?
The canonical SMILES for methyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate is CCC(C)C(NC(=O)c1ccn(-c2ccc(F)cc2)n1)C(=O)OC.
What is the InChIKey of methyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate?
The InChIKey is WLZABTZWUHTSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-4-11(2)15(17(23)24-3)19-16(22)14-9-10-21(20-14)13-7-5-12(18)6-8-13/h5-11,15H,4H2,1-3H3,(H,19,22).
What are the key properties of methyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate?
methyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate has a molecular weight of 333.36 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-3-methylpentanoate is sourced from PubChem (CID 78868120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).