1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea

C14H24N4O2 — CID 72909167

IUPAC1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea
SMILESCc1cc(NC(=O)NC2CCOCC2)n(CC(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-10(2)9-18-13(8-11(3)17-18)16-14(19)15-12-4-6-20-7-5-12/h8,10,12H,4-7,9H2,1-3H3,(H2,15,16,19)
InChIKeyRFMGNRYIQFMPDN-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.15
Rot. Bonds4

About 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea

1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea (PubChem CID 72909167) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea.

Molecular Properties

Compound Name1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea
PubChem CID72909167
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea
SMILESCc1cc(NC(=O)NC2CCOCC2)n(CC(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-10(2)9-18-13(8-11(3)17-18)16-14(19)15-12-4-6-20-7-5-12/h8,10,12H,4-7,9H2,1-3H3,(H2,15,16,19)
InChIKeyRFMGNRYIQFMPDN-UHFFFAOYSA-N
XLogP2.15
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea with MolForge

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

Launch Full Analysis

Related Compounds

2-[3-methyl-5-(oxan-4-ylamino)pyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162674085
3-methyl-1-(oxan-4-yl)-1H-pyrazol-5-amine
CID 56604397
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-morpholin-4-ylpropyl)urea
CID 45821212
1-(2,5-Dimethylpyrazol-3-yl)-3-(3-methyl-2-morpholin-4-ylbutyl)urea
CID 45821224
N-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]-2-(tetrahydro-2H-pyran-4-yl)acetamide
CID 46988837
1-(2,5-Dimethylpyrazol-3-yl)-3-(2-hydroxypropyl)urea
CID 47198265
N-[1-(1-ethylpropyl)-3-methyl-1H-pyrazol-5-yl]tetrahydrofuran-3-carboxamide
CID 50970124
1-(2,5-Dimethylpyrazol-3-yl)-3-(3-ethyl-2-morpholin-4-ylpentyl)urea
CID 51080220
1-(2,5-Dimethylpyrazol-3-yl)-3-(4-methyl-2-morpholin-4-ylpentyl)urea
CID 51080221
N-(2,5-Dimethylpyrazol-3-YL)-2,4-dimethylpiperazine-1-carboxamide
CID 71877042
N-(2-tert-butyl-5-methylpyrazol-3-yl)-2,4-dimethylpiperazine-1-carboxamide
CID 71877055
1-(2,5-Dimethylpyrazol-3-yl)-3-(3-ethyl-2-hydroxypentyl)urea
CID 71931727

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea?
The IUPAC name of 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea (CID 72909167) is 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea.
What is the SMILES notation for 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea?
The canonical SMILES for 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea is Cc1cc(NC(=O)NC2CCOCC2)n(CC(C)C)n1.
What is the InChIKey of 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea?
The InChIKey is RFMGNRYIQFMPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)9-18-13(8-11(3)17-18)16-14(19)15-12-4-6-20-7-5-12/h8,10,12H,4-7,9H2,1-3H3,(H2,15,16,19).
What are the key properties of 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea?
1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea has a molecular weight of 280.37 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-2-(2-methylpropyl)pyrazol-3-yl]-3-(oxan-4-yl)urea is sourced from PubChem (CID 72909167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).