1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea

C13H22N4O — CID 115887050

IUPAC1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
SMILESCCc1nn(C)cc1CNC(=O)NC1CCCC1
InChIInChI=1S/C13H22N4O/c1-3-12-10(9-17(2)16-12)8-14-13(18)15-11-6-4-5-7-11/h9,11H,3-8H2,1-2H3,(H2,14,15,18)
InChIKeyGGNAZMCLESBBER-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.72
Rot. Bonds4

About 1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea

1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea (PubChem CID 115887050) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
PubChem CID115887050
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
SMILESCCc1nn(C)cc1CNC(=O)NC1CCCC1
InChIInChI=1S/C13H22N4O/c1-3-12-10(9-17(2)16-12)8-14-13(18)15-11-6-4-5-7-11/h9,11H,3-8H2,1-2H3,(H2,14,15,18)
InChIKeyGGNAZMCLESBBER-UHFFFAOYSA-N
XLogP1.72
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 115886751
1-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-3-(2-methylprop-2-enyl)urea
CID 91661490
3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-1,1-dimethylurea
CID 115887051
1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 2932925
2-(1-aminocyclobutyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]acetamide
CID 112669267
5-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688886
3-cyclopropyl-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]piperidine-1-carboxamide
CID 126806353
1-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoyl]pyrrolidine-2-carboxylic acid
CID 115991089
2-[[2-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 115991130
1-(aminomethyl)-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 112668695
(2S)-3-[(3-ethyl-1-methylpyrazol-4-yl)methylcarbamoylamino]-2-hydroxypropanoic acid
CID 114007698

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea (CID 115887050) is 1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea is CCc1nn(C)cc1CNC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is GGNAZMCLESBBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-12-10(9-17(2)16-12)8-14-13(18)15-11-6-4-5-7-11/h9,11H,3-8H2,1-2H3,(H2,14,15,18).
What are the key properties of 1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea?
1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 250.35 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 115887050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).