1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-pentan-3-yloxan-4-yl)urea

C17H30N4O2 — CID 75499262

IUPAC1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-pentan-3-yloxan-4-yl)urea
SMILESCCC(CC)C1CC(NC(=O)NCc2cnn(C)c2C)CCO1
InChIInChI=1S/C17H30N4O2/c1-5-13(6-2)16-9-15(7-8-23-16)20-17(22)18-10-14-11-19-21(4)12(14)3/h11,13,15-16H,5-10H2,1-4H3,(H2,18,20,22)
InChIKeyXPWLCCNEMCMPCF-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.51
Rot. Bonds6

About 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-pentan-3-yloxan-4-yl)urea

1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-pentan-3-yloxan-4-yl)urea (PubChem CID 75499262) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-pentan-3-yloxan-4-yl)urea.

Molecular Properties

Compound Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-pentan-3-yloxan-4-yl)urea
PubChem CID75499262
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-pentan-3-yloxan-4-yl)urea
SMILESCCC(CC)C1CC(NC(=O)NCc2cnn(C)c2C)CCO1
InChIInChI=1S/C17H30N4O2/c1-5-13(6-2)16-9-15(7-8-23-16)20-17(22)18-10-14-11-19-21(4)12(14)3/h11,13,15-16H,5-10H2,1-4H3,(H2,18,20,22)
InChIKeyXPWLCCNEMCMPCF-UHFFFAOYSA-N
XLogP2.51
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-pentan-3-yloxan-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

4-[[(2-pentan-3-yloxan-4-yl)carbamoylamino]methyl]benzoic acid
CID 122009360
3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]-N-ethylpyrrolidine-1-carboxamide
CID 138994694
1-[(2S,4R)-2-pentan-3-yloxan-4-yl]-3-[(8S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 124776697
N-[(2R,4S)-2-pentan-3-yloxan-4-yl]pyridine-4-carboxamide
CID 99781873
3-cyclopropyl-3-[(1,5-dimethylpyrazol-4-yl)methylcarbamoylamino]propanoic acid
CID 106037678
N-(2-pentan-3-yloxan-4-yl)bicyclo[1.1.0]butane-1-carboxamide
CID 167891122
1-(2,5-difluorophenyl)-3-[(2S,4S)-2-pentan-3-yloxan-4-yl]urea
CID 97260483
1-(2,5-difluorophenyl)-3-[(2S,4R)-2-pentan-3-yloxan-4-yl]urea
CID 97260481
1-(2,5-difluorophenyl)-3-[(2R,4R)-2-pentan-3-yloxan-4-yl]urea
CID 97260482
1-(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)-3-[(1,5-dimethylpyrazol-4-yl)methyl]urea
CID 146084594
5-methyl-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133461839
1-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 114140497

Frequently Asked Questions

What is the IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-pentan-3-yloxan-4-yl)urea?
The IUPAC name of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-pentan-3-yloxan-4-yl)urea (CID 75499262) is 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-pentan-3-yloxan-4-yl)urea.
What is the SMILES notation for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-pentan-3-yloxan-4-yl)urea?
The canonical SMILES for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-pentan-3-yloxan-4-yl)urea is CCC(CC)C1CC(NC(=O)NCc2cnn(C)c2C)CCO1.
What is the InChIKey of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-pentan-3-yloxan-4-yl)urea?
The InChIKey is XPWLCCNEMCMPCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-5-13(6-2)16-9-15(7-8-23-16)20-17(22)18-10-14-11-19-21(4)12(14)3/h11,13,15-16H,5-10H2,1-4H3,(H2,18,20,22).
What are the key properties of 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-pentan-3-yloxan-4-yl)urea?
1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-pentan-3-yloxan-4-yl)urea has a molecular weight of 322.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(2-pentan-3-yloxan-4-yl)urea is sourced from PubChem (CID 75499262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).