1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea

C11H18N4O2 — CID 111926215

IUPAC1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea
SMILESCn1ccc(NC(=O)NC2(CO)CCCC2)n1
InChIInChI=1S/C11H18N4O2/c1-15-7-4-9(14-15)12-10(17)13-11(8-16)5-2-3-6-11/h4,7,16H,2-3,5-6,8H2,1H3,(H2,12,13,14,17)
InChIKeyZSFCDSKFEZLDMS-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.85
Rot. Bonds3

About 1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea

1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea (PubChem CID 111926215) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea
PubChem CID111926215
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea
SMILESCn1ccc(NC(=O)NC2(CO)CCCC2)n1
InChIInChI=1S/C11H18N4O2/c1-15-7-4-9(14-15)12-10(17)13-11(8-16)5-2-3-6-11/h4,7,16H,2-3,5-6,8H2,1H3,(H2,12,13,14,17)
InChIKeyZSFCDSKFEZLDMS-UHFFFAOYSA-N
XLogP0.85
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1-methylpyrazol-3-yl)carbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436760
1-[1-(hydroxymethyl)cyclopentyl]-3-pyridin-2-ylurea
CID 111911114
1-(1-methylpyrazol-3-yl)-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea
CID 136524276
N-[1-(hydroxymethyl)cyclopropyl]-1-methylpyrazole-3-carboxamide
CID 103881085
2-methyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]butanoic acid
CID 80540855
1-cyclopropyl-3-(1-methylpyrazol-3-yl)urea
CID 115576603
[1-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
CID 82866192
1-(1-methylpyrazol-3-yl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 60617048
1-cyano-N-(1-methylpyrazol-3-yl)cyclohexane-1-carboxamide
CID 61461821
2,2-dimethyl-4-[(1-methylpyrazol-3-yl)carbamoylamino]-4-oxobutanoic acid
CID 65299935
1-(4-fluorophenyl)-3-[1-(hydroxymethyl)cyclopentyl]urea
CID 62521940
2-[3-ethyl-3-(hydroxymethyl)piperidin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 70753990

Frequently Asked Questions

What is the IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea?
The IUPAC name of 1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea (CID 111926215) is 1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea.
What is the SMILES notation for 1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea?
The canonical SMILES for 1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea is Cn1ccc(NC(=O)NC2(CO)CCCC2)n1.
What is the InChIKey of 1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea?
The InChIKey is ZSFCDSKFEZLDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15-7-4-9(14-15)12-10(17)13-11(8-16)5-2-3-6-11/h4,7,16H,2-3,5-6,8H2,1H3,(H2,12,13,14,17).
What are the key properties of 1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea?
1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea has a molecular weight of 238.29 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(hydroxymethyl)cyclopentyl]-3-(1-methylpyrazol-3-yl)urea is sourced from PubChem (CID 111926215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).