4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid

C15H17N3O4 — CID 129470308

IUPAC4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid
SMILESCOC[C@H](C)n1ccc(NC(=O)c2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C15H17N3O4/c1-10(9-22-2)18-8-7-13(17-18)16-14(19)11-3-5-12(6-4-11)15(20)21/h3-8,10H,9H2,1-2H3,(H,20,21)(H,16,17,19)/t10-/m0/s1
InChIKeyUWMDHSGKSLLCNQ-JTQLQIEISA-N
MW303.32 g/mol
LogP2.04
Rot. Bonds6

About 4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid

4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid (PubChem CID 129470308) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid.

Molecular Properties

Compound Name4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid
PubChem CID129470308
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Name4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid
SMILESCOC[C@H](C)n1ccc(NC(=O)c2ccc(C(=O)O)cc2)n1
InChIInChI=1S/C15H17N3O4/c1-10(9-22-2)18-8-7-13(17-18)16-14(19)11-3-5-12(6-4-11)15(20)21/h3-8,10H,9H2,1-2H3,(H,20,21)(H,16,17,19)/t10-/m0/s1
InChIKeyUWMDHSGKSLLCNQ-JTQLQIEISA-N
XLogP2.04
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-difluoro-2-hydroxy-N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]benzamide
CID 138027112
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CID 67489349
4-[3-[(2S)-1-methoxypropan-2-yl]oxy-5-[(1-methylpyrazol-3-yl)carbamoyl]phenoxy]benzoic acid
CID 58133630
methyl (3S)-1-[[1-[(2R)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]piperidine-3-carboxylate
CID 129359157
2-(2-methoxyethoxy)-N-(1-propan-2-ylpyrazol-3-yl)acetamide
CID 114115113
(3S)-N-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]-3-methylsulfanylazepane-1-carboxamide
CID 124621844
4-[[1-(1-methoxypropan-2-yl)pyrazol-3-yl]carbamoylamino]-5-phenylpentanoic acid
CID 122090813
3-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
CID 142693047
2-[3-[[4-(2-methoxyethoxy)benzoyl]amino]pyrazol-1-yl]acetic acid
CID 119231069
1-[(1R,2S)-2-(4-fluorophenyl)cyclopropyl]-3-[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]urea
CID 99840336
3-[[3-hydroxy-5-[(2S)-1-methoxypropan-2-yl]oxybenzoyl]amino]pyrazole-1-carboxylic acid
CID 66921093
N-[1-(1-methoxypropan-2-yl)pyrazol-3-yl]-2-phenyl-5,7-dihydro-4H-furo[2,3-c]pyridine-6-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid?
The IUPAC name of 4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid (CID 129470308) is 4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid.
What is the SMILES notation for 4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid?
The canonical SMILES for 4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid is COC[C@H](C)n1ccc(NC(=O)c2ccc(C(=O)O)cc2)n1.
What is the InChIKey of 4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid?
The InChIKey is UWMDHSGKSLLCNQ-JTQLQIEISA-N. The full InChI is InChI=1S/C15H17N3O4/c1-10(9-22-2)18-8-7-13(17-18)16-14(19)11-3-5-12(6-4-11)15(20)21/h3-8,10H,9H2,1-2H3,(H,20,21)(H,16,17,19)/t10-/m0/s1.
What are the key properties of 4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid?
4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid has a molecular weight of 303.32 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(2S)-1-methoxypropan-2-yl]pyrazol-3-yl]carbamoyl]benzoic acid is sourced from PubChem (CID 129470308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).