3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid

C14H21N3O3 — CID 66121181

IUPAC3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid
SMILESCCc1cc(C(=O)N(CCC(=O)O)C2CC2)n(CC)n1
InChIInChI=1S/C14H21N3O3/c1-3-10-9-12(17(4-2)15-10)14(20)16(11-5-6-11)8-7-13(18)19/h9,11H,3-8H2,1-2H3,(H,18,19)
InChIKeyZBTIPNOXVKENPD-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.54
Rot. Bonds7

About 3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid

3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid (PubChem CID 66121181) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid.

Molecular Properties

Compound Name3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid
PubChem CID66121181
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid
SMILESCCc1cc(C(=O)N(CCC(=O)O)C2CC2)n(CC)n1
InChIInChI=1S/C14H21N3O3/c1-3-10-9-12(17(4-2)15-10)14(20)16(11-5-6-11)8-7-13(18)19/h9,11H,3-8H2,1-2H3,(H,18,19)
InChIKeyZBTIPNOXVKENPD-UHFFFAOYSA-N
XLogP1.54
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Methyl-5-propan-2-ylpyrazol-3-yl)-pyrrolidin-1-ylmethanone
CID 59712183
1-butyl-4-[(3-isopropyl-1-methyl-1H-pyrazol-5-yl)carbonyl]-2-piperazinone
CID 70729133
N-[2-ethyl-2-(hydroxymethyl)butyl]-N,1-dimethyl-3-propyl-1H-pyrazole-5-carboxamide
CID 70737148
1-[(3-isopropyl-1-methyl-1H-pyrazol-5-yl)carbonyl]azocane
CID 70749155
N-(cyanomethyl)-1-methyl-N,3-bis(propan-2-yl)-1H-pyrazole-5-carboxamide
CID 71853213
Ethyl 2-[cyclohexyl-(1,5-dimethylpyrazole-3-carbonyl)amino]acetate
CID 72009341
N-cycloheptyl-N-[(1-methyl-3-propyl-1H-pyrazol-5-yl)carbonyl]glycine
CID 72897706
N-ethyl-N-[(2S)-1-methoxypropan-2-yl]-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 97219842
N-[2-(azepan-1-yl)-2-oxoethyl]-N-ethyl-1-methyl-5-propan-2-ylpyrazole-3-carboxamide
CID 121561883
N-cyclopropyl-1-(difluoromethyl)-N,5-dimethylpyrazole-3-carboxamide
CID 126783058
N-cyclopropyl-N-(2-hydroxy-2-methylpropyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-2-carboxamide
CID 128568369
[(2S)-2-cyclopropyl-3,3-dimethylazetidin-1-yl]-(1-methyl-5-propan-2-ylpyrazol-3-yl)methanone
CID 164631466

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid?
The IUPAC name of 3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid (CID 66121181) is 3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid.
What is the SMILES notation for 3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid?
The canonical SMILES for 3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid is CCc1cc(C(=O)N(CCC(=O)O)C2CC2)n(CC)n1.
What is the InChIKey of 3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid?
The InChIKey is ZBTIPNOXVKENPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-3-10-9-12(17(4-2)15-10)14(20)16(11-5-6-11)8-7-13(18)19/h9,11H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid?
3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid has a molecular weight of 279.34 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid is sourced from PubChem (CID 66121181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).