4-[(1-cyclopentylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid

C17H26N4O3 — CID 122007131

IUPAC4-[(1-cyclopentylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NCc1ccn(C2CCCC2)n1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C17H26N4O3/c22-16(23)12-5-7-13(8-6-12)19-17(24)18-11-14-9-10-21(20-14)15-3-1-2-4-15/h9-10,12-13,15H,1-8,11H2,(H,22,23)(H2,18,19,24)
InChIKeyKWDWJZQSDWAQRW-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.44
Rot. Bonds5

About 4-[(1-cyclopentylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid

4-[(1-cyclopentylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 122007131) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-[(1-cyclopentylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1-cyclopentylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID122007131
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name4-[(1-cyclopentylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESO=C(NCc1ccn(C2CCCC2)n1)NC1CCC(C(=O)O)CC1
InChIInChI=1S/C17H26N4O3/c22-16(23)12-5-7-13(8-6-12)19-17(24)18-11-14-9-10-21(20-14)15-3-1-2-4-15/h9-10,12-13,15H,1-8,11H2,(H,22,23)(H2,18,19,24)
InChIKeyKWDWJZQSDWAQRW-UHFFFAOYSA-N
XLogP2.44
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 82872608
(1R,2R,3S,4R)-3-[(1-cyclopentylpyrazol-3-yl)methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 124777918
4-chloro-N-[(1-cyclohexylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 65023954
N-[(1-cyclopropylpyrazol-3-yl)methyl]acetamide;ethane
CID 171523553
3-(1,2-oxazol-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 81178610
1-[(1-cyclohexylpyrazol-3-yl)methyl]pyrrolidine-3-carboxylic acid
CID 64784230
(3R)-N-[(1-cyclopentylpyrazol-3-yl)methyl]-3-methylsulfanylazepane-1-carboxamide
CID 124573040
4-[(4-fluorophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 61190166
4-[(2-bromothiophen-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122013522
1-[(1-cyclohexylpyrazol-3-yl)methyl]cyclopropane-1-carboxylic acid
CID 66026844
(2S)-2-amino-3-(1-cyclohexylpyrazol-3-yl)propanoic acid
CID 106702721
2-[(1-cyclopentylpyrazol-3-yl)methylamino]propanamide
CID 64800847

Frequently Asked Questions

What is the IUPAC name of 4-[(1-cyclopentylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(1-cyclopentylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 122007131) is 4-[(1-cyclopentylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(1-cyclopentylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(1-cyclopentylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid is O=C(NCc1ccn(C2CCCC2)n1)NC1CCC(C(=O)O)CC1.
What is the InChIKey of 4-[(1-cyclopentylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is KWDWJZQSDWAQRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c22-16(23)12-5-7-13(8-6-12)19-17(24)18-11-14-9-10-21(20-14)15-3-1-2-4-15/h9-10,12-13,15H,1-8,11H2,(H,22,23)(H2,18,19,24).
What are the key properties of 4-[(1-cyclopentylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid?
4-[(1-cyclopentylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 334.42 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-cyclopentylpyrazol-3-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 122007131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).