2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid

C16H25N3O3 — CID 120534713

IUPAC2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)c1cnn(CC(C)C)c1C1CC1)C(=O)O
InChIInChI=1S/C16H25N3O3/c1-4-5-13(16(21)22)18-15(20)12-8-17-19(9-10(2)3)14(12)11-6-7-11/h8,10-11,13H,4-7,9H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyIWVCGSBYKSVQOT-UHFFFAOYSA-N
MW307.39 g/mol
LogP2.40
Rot. Bonds8

About 2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid

2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid (PubChem CID 120534713) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid
PubChem CID120534713
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid
SMILESCCCC(NC(=O)c1cnn(CC(C)C)c1C1CC1)C(=O)O
InChIInChI=1S/C16H25N3O3/c1-4-5-13(16(21)22)18-15(20)12-8-17-19(9-10(2)3)14(12)11-6-7-11/h8,10-11,13H,4-7,9H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyIWVCGSBYKSVQOT-UHFFFAOYSA-N
XLogP2.40
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 120523713
3-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]butanoic acid
CID 120522827
2-[2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]ethylsulfanyl]acetic acid
CID 120526692
1-[[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120545060
5-cyclopropyl-N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 138035250
[5-cyclopropyl-1-(2-methylpropyl)pyrazol-4-yl]-(1,4-diazabicyclo[3.2.1]octan-4-yl)methanone
CID 138035787
2-[4-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-fluorophenyl]acetic acid
CID 122109666
5-cyclopropyl-1-(2-methylpropyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazole-4-carboxamide
CID 138004235
5-cyclopropyl-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 124614790
2-[(1-methylpyrazole-4-carbonyl)amino]pentanoic acid
CID 43630219
5-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-1-benzofuran-2-carboxylic acid
CID 120690714
5-cyclopropyl-4-fluoro-1-(2-methylpropyl)pyrazole
CID 154340469

Frequently Asked Questions

What is the IUPAC name of 2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid?
The IUPAC name of 2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid (CID 120534713) is 2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid?
The canonical SMILES for 2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid is CCCC(NC(=O)c1cnn(CC(C)C)c1C1CC1)C(=O)O.
What is the InChIKey of 2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid?
The InChIKey is IWVCGSBYKSVQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-4-5-13(16(21)22)18-15(20)12-8-17-19(9-10(2)3)14(12)11-6-7-11/h8,10-11,13H,4-7,9H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid?
2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid has a molecular weight of 307.39 g/mol, XLogP of 2.40, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-cyclopropyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 120534713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).