1-(4-methylhexan-2-yl)-3-[(1-propan-2-ylpyrazol-3-yl)methyl]urea

C15H28N4O — CID 71989904

IUPAC1-(4-methylhexan-2-yl)-3-[(1-propan-2-ylpyrazol-3-yl)methyl]urea
SMILESCCC(C)CC(C)NC(=O)NCc1ccn(C(C)C)n1
InChIInChI=1S/C15H28N4O/c1-6-12(4)9-13(5)17-15(20)16-10-14-7-8-19(18-14)11(2)3/h7-8,11-13H,6,9-10H2,1-5H3,(H2,16,17,20)
InChIKeyJFINNEJEXSKRAU-UHFFFAOYSA-N
MW280.42 g/mol
LogP3.09
Rot. Bonds7

About 1-(4-methylhexan-2-yl)-3-[(1-propan-2-ylpyrazol-3-yl)methyl]urea

1-(4-methylhexan-2-yl)-3-[(1-propan-2-ylpyrazol-3-yl)methyl]urea (PubChem CID 71989904) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 1-(4-methylhexan-2-yl)-3-[(1-propan-2-ylpyrazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-(4-methylhexan-2-yl)-3-[(1-propan-2-ylpyrazol-3-yl)methyl]urea
PubChem CID71989904
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name1-(4-methylhexan-2-yl)-3-[(1-propan-2-ylpyrazol-3-yl)methyl]urea
SMILESCCC(C)CC(C)NC(=O)NCc1ccn(C(C)C)n1
InChIInChI=1S/C15H28N4O/c1-6-12(4)9-13(5)17-15(20)16-10-14-7-8-19(18-14)11(2)3/h7-8,11-13H,6,9-10H2,1-5H3,(H2,16,17,20)
InChIKeyJFINNEJEXSKRAU-UHFFFAOYSA-N
XLogP3.09
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4-methylhexan-2-yl)-3-[(1-propan-2-ylpyrazol-3-yl)methyl]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

1-Cyclohexyl-3-[(1-ethyl-3-methylpyrazol-4-yl)methyl]urea
CID 831712
1-Cyclohexyl-3-[(2-ethylpyrazol-3-yl)methyl]urea
CID 17270110
N-[(2-ethylpyrazol-3-yl)methyl]cyclohexanecarboxamide
CID 19294730
N-[(1-methyl-1H-pyrazol-5-yl)methyl]cyclohexanecarboxamide
CID 19575432
3-cyclopentyl-N-[(2-ethylpyrazol-3-yl)methyl]propanamide
CID 35520943
N-[(2-ethylpyrazol-3-yl)methyl]cyclobutanecarboxamide
CID 35520991
N-[(2-ethylpyrazol-3-yl)methyl]cyclopentanecarboxamide
CID 35520996
4-ethyl-2-[2-(3-methyl-1H-pyrazol-1-yl)ethyl]-5-(4-piperidinyl)-2,4-dihydro-3H-1,2,4-triazol-3-one dihydrochloride
CID 50979020
1-[(1-Propan-2-ylpyrazol-3-yl)methyl]-3-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 71989902
N-propan-2-yl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 75448503
N-ethyl-4-[3-(trifluoromethyl)pyrazol-1-yl]piperidine-1-carboxamide
CID 118740652
N-cyclohexyl-N'-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]urea
CID 841979

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylhexan-2-yl)-3-[(1-propan-2-ylpyrazol-3-yl)methyl]urea?
The IUPAC name of 1-(4-methylhexan-2-yl)-3-[(1-propan-2-ylpyrazol-3-yl)methyl]urea (CID 71989904) is 1-(4-methylhexan-2-yl)-3-[(1-propan-2-ylpyrazol-3-yl)methyl]urea.
What is the SMILES notation for 1-(4-methylhexan-2-yl)-3-[(1-propan-2-ylpyrazol-3-yl)methyl]urea?
The canonical SMILES for 1-(4-methylhexan-2-yl)-3-[(1-propan-2-ylpyrazol-3-yl)methyl]urea is CCC(C)CC(C)NC(=O)NCc1ccn(C(C)C)n1.
What is the InChIKey of 1-(4-methylhexan-2-yl)-3-[(1-propan-2-ylpyrazol-3-yl)methyl]urea?
The InChIKey is JFINNEJEXSKRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-6-12(4)9-13(5)17-15(20)16-10-14-7-8-19(18-14)11(2)3/h7-8,11-13H,6,9-10H2,1-5H3,(H2,16,17,20).
What are the key properties of 1-(4-methylhexan-2-yl)-3-[(1-propan-2-ylpyrazol-3-yl)methyl]urea?
1-(4-methylhexan-2-yl)-3-[(1-propan-2-ylpyrazol-3-yl)methyl]urea has a molecular weight of 280.42 g/mol, XLogP of 3.09, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylhexan-2-yl)-3-[(1-propan-2-ylpyrazol-3-yl)methyl]urea is sourced from PubChem (CID 71989904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).