1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea

C10H16N4O — CID 1482424

IUPAC1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea
SMILESCN(C(N)=O)c1c2c(nn1C)CCCC2
InChIInChI=1S/C10H16N4O/c1-13(10(11)15)9-7-5-3-4-6-8(7)12-14(9)2/h3-6H2,1-2H3,(H2,11,15)
InChIKeyBTKRTHGBJYVGBE-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.81
Rot. Bonds1

About 1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea

1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea (PubChem CID 1482424) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea.

Molecular Properties

Compound Name1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea
PubChem CID1482424
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea
SMILESCN(C(N)=O)c1c2c(nn1C)CCCC2
InChIInChI=1S/C10H16N4O/c1-13(10(11)15)9-7-5-3-4-6-8(7)12-14(9)2/h3-6H2,1-2H3,(H2,11,15)
InChIKeyBTKRTHGBJYVGBE-UHFFFAOYSA-N
XLogP0.81
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxylic acid
CID 15008414
3-amino-3-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)propanoic acid
CID 84676873
2-methyl-3-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)propanoic acid
CID 84687712
2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carbonyl chloride
CID 15135402
(2-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[c]pyrazol-3-yl) trifluoromethanesulfonate
CID 146491588
4-amino-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-N-[2-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]benzamide
CID 139801395
N-[2-[4-(4-chlorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide
CID 139801464
3-bromo-2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole
CID 57425052
2-methyl-3-phenyl-4,5,6,7,8,9-hexahydrocycloocta[c]pyrazole
CID 146491613
1-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)ethanamine
CID 84652223
4-amino-N-[2-[4-(3-chlorophenyl)piperazin-1-yl]ethyl]-N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)benzamide
CID 139801679
N,2-dimethyl-N-[2-(methylcarbamoyl)phenyl]-5,6-dihydro-4H-cyclopenta[c]pyrazole-3-carboxamide
CID 136570613

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea?
The IUPAC name of 1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea (CID 1482424) is 1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea.
What is the SMILES notation for 1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea?
The canonical SMILES for 1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea is CN(C(N)=O)c1c2c(nn1C)CCCC2.
What is the InChIKey of 1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea?
The InChIKey is BTKRTHGBJYVGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-13(10(11)15)9-7-5-3-4-6-8(7)12-14(9)2/h3-6H2,1-2H3,(H2,11,15).
What are the key properties of 1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea?
1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea has a molecular weight of 208.26 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)urea is sourced from PubChem (CID 1482424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).