3-(2-phenylmethoxypropanoylamino)-1H-pyrazole-5-carboxylic acid

C14H15N3O4 — CID 64527660

IUPAC3-(2-phenylmethoxypropanoylamino)-1H-pyrazole-5-carboxylic acid
SMILESCC(OCc1ccccc1)C(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C14H15N3O4/c1-9(21-8-10-5-3-2-4-6-10)13(18)15-12-7-11(14(19)20)16-17-12/h2-7,9H,8H2,1H3,(H,19,20)(H2,15,16,17,18)
InChIKeyZAPPRECILSWLAM-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.65
Rot. Bonds6

About 3-(2-phenylmethoxypropanoylamino)-1H-pyrazole-5-carboxylic acid

3-(2-phenylmethoxypropanoylamino)-1H-pyrazole-5-carboxylic acid (PubChem CID 64527660) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 3-(2-phenylmethoxypropanoylamino)-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-phenylmethoxypropanoylamino)-1H-pyrazole-5-carboxylic acid
PubChem CID64527660
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name3-(2-phenylmethoxypropanoylamino)-1H-pyrazole-5-carboxylic acid
SMILESCC(OCc1ccccc1)C(=O)Nc1cc(C(=O)O)[nH]n1
InChIInChI=1S/C14H15N3O4/c1-9(21-8-10-5-3-2-4-6-10)13(18)15-12-7-11(14(19)20)16-17-12/h2-7,9H,8H2,1H3,(H,19,20)(H2,15,16,17,18)
InChIKeyZAPPRECILSWLAM-UHFFFAOYSA-N
XLogP1.65
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-methyl-2-pyridinyl)-2-phenylmethoxypropanamide
CID 51941390
3-(2,3-dimethylbutanoylamino)-1H-pyrazole-5-carboxylic acid
CID 64528256
3-[[2-(2-methylphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528831
3-[[4-(methoxymethyl)benzoyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528247
1-methyl-3-(2-phenylmethoxypropanoylamino)urea
CID 47383903
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxypropanamide
CID 64792798
3-[[2-(2-phenylethylsulfanyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528841
2-ethoxy-N-[5-(2-methoxyphenyl)-1H-pyrazol-3-yl]propanamide
CID 51099256
(2S)-2-[[(2S)-2-phenylmethoxypropanoyl]amino]propanoic acid
CID 10777126
3-[[2-(2-fluorophenoxy)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64527861
3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528429
2-phenylmethoxy-N-(1H-pyrazol-5-ylmethyl)propanamide
CID 47286046

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylmethoxypropanoylamino)-1H-pyrazole-5-carboxylic acid?
The IUPAC name of 3-(2-phenylmethoxypropanoylamino)-1H-pyrazole-5-carboxylic acid (CID 64527660) is 3-(2-phenylmethoxypropanoylamino)-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-phenylmethoxypropanoylamino)-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for 3-(2-phenylmethoxypropanoylamino)-1H-pyrazole-5-carboxylic acid is CC(OCc1ccccc1)C(=O)Nc1cc(C(=O)O)[nH]n1.
What is the InChIKey of 3-(2-phenylmethoxypropanoylamino)-1H-pyrazole-5-carboxylic acid?
The InChIKey is ZAPPRECILSWLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O4/c1-9(21-8-10-5-3-2-4-6-10)13(18)15-12-7-11(14(19)20)16-17-12/h2-7,9H,8H2,1H3,(H,19,20)(H2,15,16,17,18).
What are the key properties of 3-(2-phenylmethoxypropanoylamino)-1H-pyrazole-5-carboxylic acid?
3-(2-phenylmethoxypropanoylamino)-1H-pyrazole-5-carboxylic acid has a molecular weight of 289.29 g/mol, XLogP of 1.65, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylmethoxypropanoylamino)-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 64527660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).