1-cyclopentyl-3-(1-propylpyrazol-3-yl)urea

C12H20N4O — CID 53017249

IUPAC1-cyclopentyl-3-(1-propylpyrazol-3-yl)urea
SMILESCCCn1ccc(NC(=O)NC2CCCC2)n1
InChIInChI=1S/C12H20N4O/c1-2-8-16-9-7-11(15-16)14-12(17)13-10-5-3-4-6-10/h7,9-10H,2-6,8H2,1H3,(H2,13,14,15,17)
InChIKeyBSWLFUAFFPOBIN-UHFFFAOYSA-N
MW236.32 g/mol
LogP2.36
Rot. Bonds4

About 1-cyclopentyl-3-(1-propylpyrazol-3-yl)urea

1-cyclopentyl-3-(1-propylpyrazol-3-yl)urea (PubChem CID 53017249) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-cyclopentyl-3-(1-propylpyrazol-3-yl)urea.

Molecular Properties

Compound Name1-cyclopentyl-3-(1-propylpyrazol-3-yl)urea
PubChem CID53017249
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-cyclopentyl-3-(1-propylpyrazol-3-yl)urea
SMILESCCCn1ccc(NC(=O)NC2CCCC2)n1
InChIInChI=1S/C12H20N4O/c1-2-8-16-9-7-11(15-16)14-12(17)13-10-5-3-4-6-10/h7,9-10H,2-6,8H2,1H3,(H2,13,14,15,17)
InChIKeyBSWLFUAFFPOBIN-UHFFFAOYSA-N
XLogP2.36
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(1-propylpyrazol-3-yl)urea?
The IUPAC name of 1-cyclopentyl-3-(1-propylpyrazol-3-yl)urea (CID 53017249) is 1-cyclopentyl-3-(1-propylpyrazol-3-yl)urea.
What is the SMILES notation for 1-cyclopentyl-3-(1-propylpyrazol-3-yl)urea?
The canonical SMILES for 1-cyclopentyl-3-(1-propylpyrazol-3-yl)urea is CCCn1ccc(NC(=O)NC2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-3-(1-propylpyrazol-3-yl)urea?
The InChIKey is BSWLFUAFFPOBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-8-16-9-7-11(15-16)14-12(17)13-10-5-3-4-6-10/h7,9-10H,2-6,8H2,1H3,(H2,13,14,15,17).
What are the key properties of 1-cyclopentyl-3-(1-propylpyrazol-3-yl)urea?
1-cyclopentyl-3-(1-propylpyrazol-3-yl)urea has a molecular weight of 236.32 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(1-propylpyrazol-3-yl)urea is sourced from PubChem (CID 53017249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).