4-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]cyclohexane-1-carboxylic acid

C17H29N3O2 — CID 122033442

IUPAC4-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESCCc1c(NC2CCC(C(=O)O)CC2)cnn1C(CC)CC
InChIInChI=1S/C17H29N3O2/c1-4-14(5-2)20-16(6-3)15(11-18-20)19-13-9-7-12(8-10-13)17(21)22/h11-14,19H,4-10H2,1-3H3,(H,21,22)
InChIKeyJTSGXGMRHQLNLQ-UHFFFAOYSA-N
MW307.44 g/mol
LogP3.86
Rot. Bonds7

About 4-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]cyclohexane-1-carboxylic acid

4-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]cyclohexane-1-carboxylic acid (PubChem CID 122033442) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is 4-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]cyclohexane-1-carboxylic acid
PubChem CID122033442
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name4-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]cyclohexane-1-carboxylic acid
SMILESCCc1c(NC2CCC(C(=O)O)CC2)cnn1C(CC)CC
InChIInChI=1S/C17H29N3O2/c1-4-14(5-2)20-16(6-3)15(11-18-20)19-13-9-7-12(8-10-13)17(21)22/h11-14,19H,4-10H2,1-3H3,(H,21,22)
InChIKeyJTSGXGMRHQLNLQ-UHFFFAOYSA-N
XLogP3.86
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]amino]cyclohexane-1-carboxylic acid
CID 122032573
1-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102953
cis-(1S,3R)-3-[[5-ethyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 120675965
4-[(1-butan-2-yl-5-cyclopropylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524544
4-[(5-bromo-1-methyl-6-oxopyridazin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 122060109
4-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid
CID 122091517
N-[(1S,3R)-3-[(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)amino]cyclopentyl]-2-methylimidazo[1,2-a]pyrazine-8-carboxamide
CID 167846006
1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122088382
4-(5-ethyl-1-pentan-3-ylpyrazole-4-carbonyl)-6-methylpiperazin-2-one
CID 146092100
4-[(5-methyl-2-pyridinyl)amino]cyclohexane-1-carboxylic acid
CID 66279255
4-[2-(2-methylbutan-2-yloxymethyl)anilino]cyclohexane-1-carboxylic acid
CID 122032816
1-(5-methyl-1-pentan-3-ylpyrazole-4-carbonyl)piperidine-2-carboxylic acid
CID 120514993

Frequently Asked Questions

What is the IUPAC name of 4-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]cyclohexane-1-carboxylic acid (CID 122033442) is 4-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]cyclohexane-1-carboxylic acid is CCc1c(NC2CCC(C(=O)O)CC2)cnn1C(CC)CC.
What is the InChIKey of 4-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is JTSGXGMRHQLNLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-4-14(5-2)20-16(6-3)15(11-18-20)19-13-9-7-12(8-10-13)17(21)22/h11-14,19H,4-10H2,1-3H3,(H,21,22).
What are the key properties of 4-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]cyclohexane-1-carboxylic acid?
4-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 307.44 g/mol, XLogP of 3.86, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-ethyl-1-pentan-3-ylpyrazol-4-yl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122033442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).