1-cyclohexyl-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea

C20H28N4O — CID 17384001

IUPAC1-cyclohexyl-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea
SMILESCc1ccccc1Cn1nc(C)c(NC(=O)NC2CCCCC2)c1C
InChIInChI=1S/C20H28N4O/c1-14-9-7-8-10-17(14)13-24-16(3)19(15(2)23-24)22-20(25)21-18-11-5-4-6-12-18/h7-10,18H,4-6,11-13H2,1-3H3,(H2,21,22,25)
InChIKeyBXAREMXDWGVTKM-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.31
Rot. Bonds4

About 1-cyclohexyl-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea

1-cyclohexyl-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea (PubChem CID 17384001) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 1-cyclohexyl-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea
PubChem CID17384001
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name1-cyclohexyl-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea
SMILESCc1ccccc1Cn1nc(C)c(NC(=O)NC2CCCCC2)c1C
InChIInChI=1S/C20H28N4O/c1-14-9-7-8-10-17(14)13-24-16(3)19(15(2)23-24)22-20(25)21-18-11-5-4-6-12-18/h7-10,18H,4-6,11-13H2,1-3H3,(H2,21,22,25)
InChIKeyBXAREMXDWGVTKM-UHFFFAOYSA-N
XLogP4.31
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]urea
CID 17383040
methyl 2-[[4-(cyclohexylcarbamoylamino)-3,5-dimethylpyrazol-1-yl]methyl]benzoate
CID 19448063
2-[[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]amino]-2-oxoacetic acid
CID 4774461
1-cyclohexyl-3-(2-ethyl-6-methylphenyl)urea
CID 3326830
1-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3-cyclopentylthiourea
CID 19677960
1-(3,4-dichlorophenyl)-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea
CID 17379527
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-(3-methylpyrazol-1-yl)propanamide
CID 19534194
1-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(2-methoxy-5-methylphenyl)urea
CID 17380607
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2,5-dimethylpyrazole-3-carboxamide
CID 19481204
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-3-(1-methylpyrazol-4-yl)propanamide
CID 39853103
1-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea
CID 17378273
N-(cyclohexylcarbamoyl)-2-[4-[(2-methylphenyl)methyl]piperazin-1-yl]acetamide
CID 30649050

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea?
The IUPAC name of 1-cyclohexyl-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea (CID 17384001) is 1-cyclohexyl-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea?
The canonical SMILES for 1-cyclohexyl-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea is Cc1ccccc1Cn1nc(C)c(NC(=O)NC2CCCCC2)c1C.
What is the InChIKey of 1-cyclohexyl-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea?
The InChIKey is BXAREMXDWGVTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-14-9-7-8-10-17(14)13-24-16(3)19(15(2)23-24)22-20(25)21-18-11-5-4-6-12-18/h7-10,18H,4-6,11-13H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-cyclohexyl-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea?
1-cyclohexyl-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea has a molecular weight of 340.47 g/mol, XLogP of 4.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]urea is sourced from PubChem (CID 17384001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).