1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-propylurea

C12H20N4O — CID 10220329

IUPAC1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(C2CCCC2)[nH]n1
InChIInChI=1S/C12H20N4O/c1-2-7-13-12(17)14-11-8-10(15-16-11)9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H3,13,14,15,16,17)
InChIKeyFPXSIHNCQOGEIE-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.60
Rot. Bonds4

About 1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-propylurea

1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-propylurea (PubChem CID 10220329) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-propylurea.

Molecular Properties

Compound Name1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-propylurea
PubChem CID10220329
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-propylurea
SMILESCCCNC(=O)Nc1cc(C2CCCC2)[nH]n1
InChIInChI=1S/C12H20N4O/c1-2-7-13-12(17)14-11-8-10(15-16-11)9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H3,13,14,15,16,17)
InChIKeyFPXSIHNCQOGEIE-UHFFFAOYSA-N
XLogP2.60
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-propylurea?
The IUPAC name of 1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-propylurea (CID 10220329) is 1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-propylurea.
What is the SMILES notation for 1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-propylurea?
The canonical SMILES for 1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-propylurea is CCCNC(=O)Nc1cc(C2CCCC2)[nH]n1.
What is the InChIKey of 1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-propylurea?
The InChIKey is FPXSIHNCQOGEIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-7-13-12(17)14-11-8-10(15-16-11)9-5-3-4-6-9/h8-9H,2-7H2,1H3,(H3,13,14,15,16,17).
What are the key properties of 1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-propylurea?
1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-propylurea has a molecular weight of 236.32 g/mol, XLogP of 2.60, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopentyl-1H-pyrazol-3-yl)-3-propylurea is sourced from PubChem (CID 10220329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).