cyclopentyl 4-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]benzoate

C19H24N4O3 — CID 72864824

IUPACcyclopentyl 4-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]benzoate
SMILESCn1nccc1CCNC(=O)Nc1ccc(C(=O)OC2CCCC2)cc1
InChIInChI=1S/C19H24N4O3/c1-23-16(11-13-21-23)10-12-20-19(25)22-15-8-6-14(7-9-15)18(24)26-17-4-2-3-5-17/h6-9,11,13,17H,2-5,10,12H2,1H3,(H2,20,22,25)
InChIKeyJSSBBFXOOASANW-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.88
Rot. Bonds6

About cyclopentyl 4-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]benzoate

cyclopentyl 4-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]benzoate (PubChem CID 72864824) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is cyclopentyl 4-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]benzoate.

Molecular Properties

Compound Namecyclopentyl 4-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]benzoate
PubChem CID72864824
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Namecyclopentyl 4-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]benzoate
SMILESCn1nccc1CCNC(=O)Nc1ccc(C(=O)OC2CCCC2)cc1
InChIInChI=1S/C19H24N4O3/c1-23-16(11-13-21-23)10-12-20-19(25)22-15-8-6-14(7-9-15)18(24)26-17-4-2-3-5-17/h6-9,11,13,17H,2-5,10,12H2,1H3,(H2,20,22,25)
InChIKeyJSSBBFXOOASANW-UHFFFAOYSA-N
XLogP2.88
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

cyclopentyl 4-(2-ethylsulfonylethylcarbamoylamino)benzoate
CID 72896018
1-cyclohexyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693380
cyclopentyl 4-[(5-methyl-1,3,4-oxadiazol-2-yl)methylcarbamoylamino]benzoate
CID 72925955
1-methyl-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 104693382
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 103009645
cyclododecyl 4-acetamidobenzoate
CID 3973983
1-[2-(2-methylpyrazol-3-yl)ethyl]-3-propan-2-ylurea
CID 104693386
2-[2-(2-methylpyrazol-3-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 104693313
4-(cyclopropylcarbamoylamino)-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 31974410
cyclohexyl 4-[(2-aminoacetyl)amino]benzoate
CID 110459441
cyclopentyl 4-[[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]carbamoylamino]benzoate
CID 124507477
cyclohexyl 4-(pyridine-4-carbonylamino)benzoate
CID 719338

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 4-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]benzoate?
The IUPAC name of cyclopentyl 4-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]benzoate (CID 72864824) is cyclopentyl 4-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]benzoate.
What is the SMILES notation for cyclopentyl 4-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]benzoate?
The canonical SMILES for cyclopentyl 4-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]benzoate is Cn1nccc1CCNC(=O)Nc1ccc(C(=O)OC2CCCC2)cc1.
What is the InChIKey of cyclopentyl 4-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]benzoate?
The InChIKey is JSSBBFXOOASANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-23-16(11-13-21-23)10-12-20-19(25)22-15-8-6-14(7-9-15)18(24)26-17-4-2-3-5-17/h6-9,11,13,17H,2-5,10,12H2,1H3,(H2,20,22,25).
What are the key properties of cyclopentyl 4-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]benzoate?
cyclopentyl 4-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]benzoate has a molecular weight of 356.43 g/mol, XLogP of 2.88, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 4-[2-(2-methylpyrazol-3-yl)ethylcarbamoylamino]benzoate is sourced from PubChem (CID 72864824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).