1-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid

C19H23FN4O3 — CID 122102136

IUPAC1-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1cc(C)n(-c2ccc(NC(=O)N3CC(C)CC(C(=O)O)C3)cc2F)n1
InChIInChI=1S/C19H23FN4O3/c1-11-6-14(18(25)26)10-23(9-11)19(27)21-15-4-5-17(16(20)8-15)24-13(3)7-12(2)22-24/h4-5,7-8,11,14H,6,9-10H2,1-3H3,(H,21,27)(H,25,26)
InChIKeyDVOSVJYMWGLFIJ-UHFFFAOYSA-N
MW374.42 g/mol
LogP3.20
Rot. Bonds3

About 1-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid

1-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid (PubChem CID 122102136) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
PubChem CID122102136
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name1-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
SMILESCc1cc(C)n(-c2ccc(NC(=O)N3CC(C)CC(C(=O)O)C3)cc2F)n1
InChIInChI=1S/C19H23FN4O3/c1-11-6-14(18(25)26)10-23(9-11)19(27)21-15-4-5-17(16(20)8-15)24-13(3)7-12(2)22-24/h4-5,7-8,11,14H,6,9-10H2,1-3H3,(H,21,27)(H,25,26)
InChIKeyDVOSVJYMWGLFIJ-UHFFFAOYSA-N
XLogP3.20
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-chloro-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102090
1-[(4-cyano-3-fluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103154
1-[(3,5-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101962
N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]-3-methyl-4-oxocyclohexane-1-carboxamide
CID 127691444
3-amino-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119731520
1-[(4-bromophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101767
1-[(4-methoxycarbonyl-3-methylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102328
1-[(2,6-difluorophenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122101826
5-methyl-1-[(4-methyl-3-nitrophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122101780
1-[[4-(dimethylcarbamoyl)-3-methylphenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102456
1-[(4,5-difluoro-2-piperidin-1-ylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122103164
5-methyl-1-[[3-(phenylcarbamoylamino)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122101982

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The IUPAC name of 1-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid (CID 122102136) is 1-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid is Cc1cc(C)n(-c2ccc(NC(=O)N3CC(C)CC(C(=O)O)C3)cc2F)n1.
What is the InChIKey of 1-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
The InChIKey is DVOSVJYMWGLFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-11-6-14(18(25)26)10-23(9-11)19(27)21-15-4-5-17(16(20)8-15)24-13(3)7-12(2)22-24/h4-5,7-8,11,14H,6,9-10H2,1-3H3,(H,21,27)(H,25,26).
What are the key properties of 1-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid?
1-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid has a molecular weight of 374.42 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]carbamoyl]-5-methylpiperidine-3-carboxylic acid is sourced from PubChem (CID 122102136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).