4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid

C17H26N4O4 — CID 120534951

IUPAC4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H26N4O4/c1-12(7-8-16(23)24)19-17(25)13-9-18-21(10-13)11-15(22)20-14-5-3-2-4-6-14/h9-10,12,14H,2-8,11H2,1H3,(H,19,25)(H,20,22)(H,23,24)
InChIKeyXHRZGKYEMOAERO-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.32
Rot. Bonds8

About 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid

4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid (PubChem CID 120534951) has the molecular formula C17H26N4O4 and a molecular weight of 350.42 g/mol. Its IUPAC name is 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid.

Molecular Properties

Compound Name4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid
PubChem CID120534951
Molecular FormulaC17H26N4O4
Molecular Weight350.42 g/mol
Exact Mass350.20
IUPAC Name4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid
SMILESCC(CCC(=O)O)NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1
InChIInChI=1S/C17H26N4O4/c1-12(7-8-16(23)24)19-17(25)13-9-18-21(10-13)11-15(22)20-14-5-3-2-4-6-14/h9-10,12,14H,2-8,11H2,1H3,(H,19,25)(H,20,22)(H,23,24)
InChIKeyXHRZGKYEMOAERO-UHFFFAOYSA-N
XLogP1.32
TPSA113.32 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid with MolForge

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Related Compounds

2-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]-3-methylbutanoic acid
CID 119348304
1-[2-(cyclooctylamino)-2-oxoethyl]pyrazole-4-carboxylic acid
CID 19622340
(2R)-2-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]-2-phenylacetic acid
CID 119367660
2-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]acetic acid
CID 19621986
1-[2-(cyclohexylamino)-2-oxoethyl]-N-[2-(methylamino)ethyl]pyrazole-4-carboxamide
CID 119502724
3-[4-(cyclooctylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19622223
(4S)-4-[(1-benzylpyrazole-4-carbonyl)amino]pentanoic acid
CID 97338785
2-[4-[4-(1-aminoethyl)piperidine-1-carbonyl]pyrazol-1-yl]-N-cyclohexylacetamide
CID 119519390
(3S)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-3-carboxylic acid
CID 120514198
N-[2-(aminomethyl)cyclohexyl]-1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carboxamide;hydrochloride
CID 119611274
(2R)-1-[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]piperidine-2-carboxylic acid
CID 120537481
1-[2-(cyclohexylamino)-2-oxoethyl]-N-methyl-N-piperidin-4-ylpyrazole-4-carboxamide
CID 119443299

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid?
The IUPAC name of 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid (CID 120534951) is 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid.
What is the SMILES notation for 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid?
The canonical SMILES for 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid is CC(CCC(=O)O)NC(=O)c1cnn(CC(=O)NC2CCCCC2)c1.
What is the InChIKey of 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid?
The InChIKey is XHRZGKYEMOAERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O4/c1-12(7-8-16(23)24)19-17(25)13-9-18-21(10-13)11-15(22)20-14-5-3-2-4-6-14/h9-10,12,14H,2-8,11H2,1H3,(H,19,25)(H,20,22)(H,23,24).
What are the key properties of 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid?
4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid has a molecular weight of 350.42 g/mol, XLogP of 1.32, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[2-(cyclohexylamino)-2-oxoethyl]pyrazole-4-carbonyl]amino]pentanoic acid is sourced from PubChem (CID 120534951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).