1-(cyclobutylmethyl)-1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea

C14H24N4O — CID 99839507

IUPAC1-(cyclobutylmethyl)-1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea
SMILESCC(C)N(CC1CCC1)C(=O)NCCn1cccn1
InChIInChI=1S/C14H24N4O/c1-12(2)18(11-13-5-3-6-13)14(19)15-8-10-17-9-4-7-16-17/h4,7,9,12-13H,3,5-6,8,10-11H2,1-2H3,(H,15,19)
InChIKeyBNBIORNVCRSOKG-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.10
Rot. Bonds6

About 1-(cyclobutylmethyl)-1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea

1-(cyclobutylmethyl)-1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea (PubChem CID 99839507) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-(cyclobutylmethyl)-1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea.

Molecular Properties

Compound Name1-(cyclobutylmethyl)-1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea
PubChem CID99839507
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name1-(cyclobutylmethyl)-1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea
SMILESCC(C)N(CC1CCC1)C(=O)NCCn1cccn1
InChIInChI=1S/C14H24N4O/c1-12(2)18(11-13-5-3-6-13)14(19)15-8-10-17-9-4-7-16-17/h4,7,9,12-13H,3,5-6,8,10-11H2,1-2H3,(H,15,19)
InChIKeyBNBIORNVCRSOKG-UHFFFAOYSA-N
XLogP2.10
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclobutylmethyl)-1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea?
The IUPAC name of 1-(cyclobutylmethyl)-1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea (CID 99839507) is 1-(cyclobutylmethyl)-1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea.
What is the SMILES notation for 1-(cyclobutylmethyl)-1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea?
The canonical SMILES for 1-(cyclobutylmethyl)-1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea is CC(C)N(CC1CCC1)C(=O)NCCn1cccn1.
What is the InChIKey of 1-(cyclobutylmethyl)-1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea?
The InChIKey is BNBIORNVCRSOKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-12(2)18(11-13-5-3-6-13)14(19)15-8-10-17-9-4-7-16-17/h4,7,9,12-13H,3,5-6,8,10-11H2,1-2H3,(H,15,19).
What are the key properties of 1-(cyclobutylmethyl)-1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea?
1-(cyclobutylmethyl)-1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea has a molecular weight of 264.37 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclobutylmethyl)-1-propan-2-yl-3-(2-pyrazol-1-ylethyl)urea is sourced from PubChem (CID 99839507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).