2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetic acid

C14H22N4O3 — CID 106215471

IUPAC2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetic acid
SMILESCC(NC(=O)NC1(CC(=O)O)CCCCC1)c1cn[nH]c1
InChIInChI=1S/C14H22N4O3/c1-10(11-8-15-16-9-11)17-13(21)18-14(7-12(19)20)5-3-2-4-6-14/h8-10H,2-7H2,1H3,(H,15,16)(H,19,20)(H2,17,18,21)
InChIKeyMYIIWRULXYOKQM-UHFFFAOYSA-N
MW294.35 g/mol
LogP1.95
Rot. Bonds5

About 2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetic acid

2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetic acid (PubChem CID 106215471) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetic acid
PubChem CID106215471
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetic acid
SMILESCC(NC(=O)NC1(CC(=O)O)CCCCC1)c1cn[nH]c1
InChIInChI=1S/C14H22N4O3/c1-10(11-8-15-16-9-11)17-13(21)18-14(7-12(19)20)5-3-2-4-6-14/h8-10H,2-7H2,1H3,(H,15,16)(H,19,20)(H2,17,18,21)
InChIKeyMYIIWRULXYOKQM-UHFFFAOYSA-N
XLogP1.95
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 51.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide
CID 114158937
1-ethyl-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 103856241
1-amino-N-[1-(1H-pyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 106212912
2-[1-(pentan-3-ylcarbamoylamino)cyclopentyl]acetic acid
CID 64699645
2-[1-(1-cyclopropylethylcarbamoylamino)cyclohexyl]acetic acid
CID 64700065
5-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]pentanoic acid
CID 106215666
2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 106215558
2-[1-(2-methylpentan-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701263
2-[1-(1-cyclohexylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700515
3-methoxy-4-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 106215570
2-[1-[1-(furan-2-yl)ethylcarbamoylamino]cyclobutyl]acetic acid
CID 79851604
3-hydroxy-2-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]butanoic acid
CID 114159367

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetic acid?
The IUPAC name of 2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetic acid (CID 106215471) is 2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetic acid?
The canonical SMILES for 2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetic acid is CC(NC(=O)NC1(CC(=O)O)CCCCC1)c1cn[nH]c1.
What is the InChIKey of 2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetic acid?
The InChIKey is MYIIWRULXYOKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-10(11-8-15-16-9-11)17-13(21)18-14(7-12(19)20)5-3-2-4-6-14/h8-10H,2-7H2,1H3,(H,15,16)(H,19,20)(H2,17,18,21).
What are the key properties of 2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetic acid?
2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(1H-pyrazol-4-yl)ethylcarbamoylamino]cyclohexyl]acetic acid is sourced from PubChem (CID 106215471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).