2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid

C14H22N4O3 — CID 103009645

IUPAC2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCn1nccc1CCNC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H22N4O3/c1-18-10(7-9-16-18)6-8-15-14(21)17-12-5-3-2-4-11(12)13(19)20/h7,9,11-12H,2-6,8H2,1H3,(H,19,20)(H2,15,17,21)
InChIKeyYVIGWOLZGJXYKD-UHFFFAOYSA-N
MW294.35 g/mol
LogP0.91
Rot. Bonds5

About 2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid

2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid (PubChem CID 103009645) has the molecular formula C14H22N4O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
PubChem CID103009645
Molecular FormulaC14H22N4O3
Molecular Weight294.35 g/mol
Exact Mass294.17
IUPAC Name2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
SMILESCn1nccc1CCNC(=O)NC1CCCCC1C(=O)O
InChIInChI=1S/C14H22N4O3/c1-18-10(7-9-16-18)6-8-15-14(21)17-12-5-3-2-4-11(12)13(19)20/h7,9,11-12H,2-6,8H2,1H3,(H,19,20)(H2,15,17,21)
InChIKeyYVIGWOLZGJXYKD-UHFFFAOYSA-N
XLogP0.91
TPSA96.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815607
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 104693313
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
6-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 104693312
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
4-[(2-methylpyrazol-3-yl)methylcarbamoylamino]oxolane-3-carboxylic acid
CID 66238579
2-(2-pyridin-3-ylethylcarbamoylamino)cyclohexane-1-carboxylic acid
CID 64817875
2-[2-(1,3-thiazol-2-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64816372
trans-(1R,2R)-2-[2-(2-methylpyrazol-3-yl)ethylamino]cyclohexan-1-ol
CID 103005731
1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 103009203
2-methyl-1-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]piperidine-4-carboxylic acid
CID 106744621

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid (CID 103009645) is 2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid is Cn1nccc1CCNC(=O)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
The InChIKey is YVIGWOLZGJXYKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-18-10(7-9-16-18)6-8-15-14(21)17-12-5-3-2-4-11(12)13(19)20/h7,9,11-12H,2-6,8H2,1H3,(H,19,20)(H2,15,17,21).
What are the key properties of 2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid?
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 103009645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).