2-[cyclopropyl-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid

C18H21N3O5 — CID 122067233

IUPAC2-[cyclopropyl-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid
SMILESCOc1ccc(-c2cc(C(=O)N(C3CC3)C(C)C(=O)O)[nH]n2)cc1OC
InChIInChI=1S/C18H21N3O5/c1-10(18(23)24)21(12-5-6-12)17(22)14-9-13(19-20-14)11-4-7-15(25-2)16(8-11)26-3/h4,7-10,12H,5-6H2,1-3H3,(H,19,20)(H,23,24)
InChIKeyWJOKBEKZVUWHBU-UHFFFAOYSA-N
MW359.38 g/mol
LogP2.17
Rot. Bonds7

About 2-[cyclopropyl-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid

2-[cyclopropyl-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid (PubChem CID 122067233) has the molecular formula C18H21N3O5 and a molecular weight of 359.38 g/mol. Its IUPAC name is 2-[cyclopropyl-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid
PubChem CID122067233
Molecular FormulaC18H21N3O5
Molecular Weight359.38 g/mol
Exact Mass359.15
IUPAC Name2-[cyclopropyl-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid
SMILESCOc1ccc(-c2cc(C(=O)N(C3CC3)C(C)C(=O)O)[nH]n2)cc1OC
InChIInChI=1S/C18H21N3O5/c1-10(18(23)24)21(12-5-6-12)17(22)14-9-13(19-20-14)11-4-7-15(25-2)16(8-11)26-3/h4,7-10,12H,5-6H2,1-3H3,(H,19,20)(H,23,24)
InChIKeyWJOKBEKZVUWHBU-UHFFFAOYSA-N
XLogP2.17
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]-4-methylpentanoic acid
CID 119364011
3-[3-(cyclopropylmethoxy)-4-methoxyphenyl]-1H-pyrazole-5-carboxylic acid
CID 117465686
1-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]pyrrolidine-3-carboxylic acid
CID 119354559
N-(3,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-N-methyl-1H-pyrazole-5-carboxamide
CID 119042265
4-[[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]butanoic acid
CID 119352752
[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]-[4-(2-hydroxy-2-methylpropyl)piperidin-1-yl]methanone
CID 70848755
N-[(1R)-5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 125431255
(2S)-2-[[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]hexanoic acid
CID 120615160
3-(3,4-dimethoxyphenyl)-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide
CID 124853927
3-(4-hydroxy-3-methoxyphenyl)-1H-pyrazole-5-carboxylic acid
CID 135658624
3-(3-chlorophenyl)-N-cyclopropyl-N-(1-pyridin-2-ylethyl)-1H-pyrazole-5-carboxamide
CID 71937515
(4-amino-3,3-dimethylpiperidin-1-yl)-[3-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]methanone
CID 120819018

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid (CID 122067233) is 2-[cyclopropyl-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid is COc1ccc(-c2cc(C(=O)N(C3CC3)C(C)C(=O)O)[nH]n2)cc1OC.
What is the InChIKey of 2-[cyclopropyl-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid?
The InChIKey is WJOKBEKZVUWHBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O5/c1-10(18(23)24)21(12-5-6-12)17(22)14-9-13(19-20-14)11-4-7-15(25-2)16(8-11)26-3/h4,7-10,12H,5-6H2,1-3H3,(H,19,20)(H,23,24).
What are the key properties of 2-[cyclopropyl-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid?
2-[cyclopropyl-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid has a molecular weight of 359.38 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoic acid is sourced from PubChem (CID 122067233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).