3-(cyclobutylmethyl)-1-(3-hydroxypropyl)-1-[4-(1H-pyrazol-4-yl)phenyl]urea

C18H24N4O2 — CID 68569315

IUPAC3-(cyclobutylmethyl)-1-(3-hydroxypropyl)-1-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESO=C(NCC1CCC1)N(CCCO)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H24N4O2/c23-10-2-9-22(18(24)19-11-14-3-1-4-14)17-7-5-15(6-8-17)16-12-20-21-13-16/h5-8,12-14,23H,1-4,9-11H2,(H,19,24)(H,20,21)
InChIKeyILLGBNVFJMTYAB-UHFFFAOYSA-N
MW328.42 g/mol
LogP2.78
Rot. Bonds7

About 3-(cyclobutylmethyl)-1-(3-hydroxypropyl)-1-[4-(1H-pyrazol-4-yl)phenyl]urea

3-(cyclobutylmethyl)-1-(3-hydroxypropyl)-1-[4-(1H-pyrazol-4-yl)phenyl]urea (PubChem CID 68569315) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-1-(3-hydroxypropyl)-1-[4-(1H-pyrazol-4-yl)phenyl]urea.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-1-(3-hydroxypropyl)-1-[4-(1H-pyrazol-4-yl)phenyl]urea
PubChem CID68569315
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name3-(cyclobutylmethyl)-1-(3-hydroxypropyl)-1-[4-(1H-pyrazol-4-yl)phenyl]urea
SMILESO=C(NCC1CCC1)N(CCCO)c1ccc(-c2cn[nH]c2)cc1
InChIInChI=1S/C18H24N4O2/c23-10-2-9-22(18(24)19-11-14-3-1-4-14)17-7-5-15(6-8-17)16-12-20-21-13-16/h5-8,12-14,23H,1-4,9-11H2,(H,19,24)(H,20,21)
InChIKeyILLGBNVFJMTYAB-UHFFFAOYSA-N
XLogP2.78
TPSA81.25 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-(cyclobutylmethyl)-1-(3-hydroxypropyl)-1-[4-(1H-pyrazol-4-yl)phenyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobutylmethyl)-1-(3-hydroxypropyl)-1-[4-(1H-pyrazol-4-yl)phenyl]urea?
The IUPAC name of 3-(cyclobutylmethyl)-1-(3-hydroxypropyl)-1-[4-(1H-pyrazol-4-yl)phenyl]urea (CID 68569315) is 3-(cyclobutylmethyl)-1-(3-hydroxypropyl)-1-[4-(1H-pyrazol-4-yl)phenyl]urea.
What is the SMILES notation for 3-(cyclobutylmethyl)-1-(3-hydroxypropyl)-1-[4-(1H-pyrazol-4-yl)phenyl]urea?
The canonical SMILES for 3-(cyclobutylmethyl)-1-(3-hydroxypropyl)-1-[4-(1H-pyrazol-4-yl)phenyl]urea is O=C(NCC1CCC1)N(CCCO)c1ccc(-c2cn[nH]c2)cc1.
What is the InChIKey of 3-(cyclobutylmethyl)-1-(3-hydroxypropyl)-1-[4-(1H-pyrazol-4-yl)phenyl]urea?
The InChIKey is ILLGBNVFJMTYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c23-10-2-9-22(18(24)19-11-14-3-1-4-14)17-7-5-15(6-8-17)16-12-20-21-13-16/h5-8,12-14,23H,1-4,9-11H2,(H,19,24)(H,20,21).
What are the key properties of 3-(cyclobutylmethyl)-1-(3-hydroxypropyl)-1-[4-(1H-pyrazol-4-yl)phenyl]urea?
3-(cyclobutylmethyl)-1-(3-hydroxypropyl)-1-[4-(1H-pyrazol-4-yl)phenyl]urea has a molecular weight of 328.42 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-1-(3-hydroxypropyl)-1-[4-(1H-pyrazol-4-yl)phenyl]urea is sourced from PubChem (CID 68569315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).