1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methyl]urea

C11H18N4O — CID 36508722

IUPAC1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCn1nccc1CNC(=O)NC1CCCC1
InChIInChI=1S/C11H18N4O/c1-15-10(6-7-13-15)8-12-11(16)14-9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3,(H2,12,14,16)
InChIKeyHMPPCDGKJDULIE-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.16
Rot. Bonds3

About 1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methyl]urea

1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methyl]urea (PubChem CID 36508722) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methyl]urea
PubChem CID36508722
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methyl]urea
SMILESCn1nccc1CNC(=O)NC1CCCC1
InChIInChI=1S/C11H18N4O/c1-15-10(6-7-13-15)8-12-11(16)14-9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3,(H2,12,14,16)
InChIKeyHMPPCDGKJDULIE-UHFFFAOYSA-N
XLogP1.16
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methyl]urea (CID 36508722) is 1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methyl]urea is Cn1nccc1CNC(=O)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methyl]urea?
The InChIKey is HMPPCDGKJDULIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15-10(6-7-13-15)8-12-11(16)14-9-4-2-3-5-9/h6-7,9H,2-5,8H2,1H3,(H2,12,14,16).
What are the key properties of 1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methyl]urea?
1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methyl]urea has a molecular weight of 222.29 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(2-methylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 36508722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).