4-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid

C19H32N4O3 — CID 122091517

IUPAC4-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC(C)CCn1ncc(NC(=O)NC2CCC(C(=O)O)CC2)c1C(C)C
InChIInChI=1S/C19H32N4O3/c1-12(2)9-10-23-17(13(3)4)16(11-20-23)22-19(26)21-15-7-5-14(6-8-15)18(24)25/h11-15H,5-10H2,1-4H3,(H,24,25)(H2,21,22,26)
InChIKeyYYSIMAGBLHFPOT-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.82
Rot. Bonds7

About 4-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid

4-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122091517) has the molecular formula C19H32N4O3 and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122091517
Molecular FormulaC19H32N4O3
Molecular Weight364.49 g/mol
Exact Mass364.25
IUPAC Name4-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid
SMILESCC(C)CCn1ncc(NC(=O)NC2CCC(C(=O)O)CC2)c1C(C)C
InChIInChI=1S/C19H32N4O3/c1-12(2)9-10-23-17(13(3)4)16(11-20-23)22-19(26)21-15-7-5-14(6-8-15)18(24)25/h11-15H,5-10H2,1-4H3,(H,24,25)(H2,21,22,26)
InChIKeyYYSIMAGBLHFPOT-UHFFFAOYSA-N
XLogP3.82
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]carbamoyl]piperidine-4-carboxylic acid
CID 122088382
4-[[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]amino]cyclohexane-1-carboxylic acid
CID 122032573
4-[(4-bromo-2-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122088195
3-[3-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]phenyl]propanoic acid
CID 122091522
4-[(4-propan-2-yl-1,3-thiazol-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094897
4-[(5-chloro-4-methyl-3-pyridinyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122094449
1-[(2S,3R)-2-(1,3-dimethylpyrazol-4-yl)oxolan-3-yl]-3-[1-(2-methylpropyl)-5-propan-2-ylpyrazol-4-yl]urea
CID 126821145
4-[(2-methylpyrimidin-5-yl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122079348
4-[(2,6-dimethyl-4-propan-2-ylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122088510
3-[[1-ethyl-5-(trifluoromethyl)pyrazol-4-yl]carbamoylamino]cyclobutane-1-carboxylic acid
CID 154781408
1-(1-butyl-5-propan-2-ylpyrazol-4-yl)-3-(1-oxaspiro[4.4]nonan-4-yl)urea
CID 136562971
4-[(2-propan-2-yl-6-prop-2-enylphenyl)carbamoylamino]cyclohexane-1-carboxylic acid
CID 122091259

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid (CID 122091517) is 4-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid is CC(C)CCn1ncc(NC(=O)NC2CCC(C(=O)O)CC2)c1C(C)C.
What is the InChIKey of 4-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is YYSIMAGBLHFPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O3/c1-12(2)9-10-23-17(13(3)4)16(11-20-23)22-19(26)21-15-7-5-14(6-8-15)18(24)25/h11-15H,5-10H2,1-4H3,(H,24,25)(H2,21,22,26).
What are the key properties of 4-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid?
4-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 364.49 g/mol, XLogP of 3.82, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(3-methylbutyl)-5-propan-2-ylpyrazol-4-yl]carbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122091517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).