1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea

C12H20N4O — CID 2932925

IUPAC1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCn1cc(CNC(=O)NC2CCCCC2)cn1
InChIInChI=1S/C12H20N4O/c1-16-9-10(8-14-16)7-13-12(17)15-11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3,(H2,13,15,17)
InChIKeyGUKRCFPCMBOJQT-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.55
Rot. Bonds3

About 1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea

1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea (PubChem CID 2932925) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
PubChem CID2932925
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea
SMILESCn1cc(CNC(=O)NC2CCCCC2)cn1
InChIInChI=1S/C12H20N4O/c1-16-9-10(8-14-16)7-13-12(17)15-11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3,(H2,13,15,17)
InChIKeyGUKRCFPCMBOJQT-UHFFFAOYSA-N
XLogP1.55
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-hydroxycyclohexyl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 110933352
1-cyclohexyl-3-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]urea
CID 131915991
1-[(1-methylpyrazol-4-yl)methyl]-3-(2-phenyloxan-4-yl)urea
CID 86793272
N-[(1-methylpyrazol-4-yl)methyl]azepane-1-carboxamide
CID 115590808
1-cyclohexyl-3-[[5-(2-methylpyrazol-3-yl)-3-pyridinyl]methyl]urea
CID 122274163
1-cyclopentyl-3-[(3-ethyl-1-methylpyrazol-4-yl)methyl]urea
CID 115887050
1-cyclohexyl-3-(furan-3-ylmethyl)urea
CID 47236948
1-cyclohexyl-3-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 35276366
1-[[4-(aminomethyl)phenyl]methyl]-3-cyclohexylurea
CID 54936547
1-cyclobutyl-3-(1-methylpyrazol-4-yl)urea
CID 115617906
1-cyclohexyl-3-[(4-methoxyphenyl)methyl]urea
CID 854988
2-[1-(methylamino)cyclohexyl]-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 65242126

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea?
The IUPAC name of 1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea (CID 2932925) is 1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea is Cn1cc(CNC(=O)NC2CCCCC2)cn1.
What is the InChIKey of 1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea?
The InChIKey is GUKRCFPCMBOJQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-16-9-10(8-14-16)7-13-12(17)15-11-5-3-2-4-6-11/h8-9,11H,2-7H2,1H3,(H2,13,15,17).
What are the key properties of 1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea?
1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea has a molecular weight of 236.32 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[(1-methylpyrazol-4-yl)methyl]urea is sourced from PubChem (CID 2932925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).