1-(4-tert-butylphenyl)-3-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea

C21H30N4O — CID 166205955

IUPAC1-(4-tert-butylphenyl)-3-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea
SMILESCC(C)n1cc2c(n1)C(NC(=O)Nc1ccc(C(C)(C)C)cc1)CCC2
InChIInChI=1S/C21H30N4O/c1-14(2)25-13-15-7-6-8-18(19(15)24-25)23-20(26)22-17-11-9-16(10-12-17)21(3,4)5/h9-14,18H,6-8H2,1-5H3,(H2,22,23,26)
InChIKeyWNDDNBOOROKLRS-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.96
Rot. Bonds3

About 1-(4-tert-butylphenyl)-3-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea

1-(4-tert-butylphenyl)-3-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea (PubChem CID 166205955) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)-3-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)-3-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea
PubChem CID166205955
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC Name1-(4-tert-butylphenyl)-3-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea
SMILESCC(C)n1cc2c(n1)C(NC(=O)Nc1ccc(C(C)(C)C)cc1)CCC2
InChIInChI=1S/C21H30N4O/c1-14(2)25-13-15-7-6-8-18(19(15)24-25)23-20(26)22-17-11-9-16(10-12-17)21(3,4)5/h9-14,18H,6-8H2,1-5H3,(H2,22,23,26)
InChIKeyWNDDNBOOROKLRS-UHFFFAOYSA-N
XLogP4.96
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[(7R)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1H-pyrazole-3-carboxamide
CID 97346855
2-ethoxy-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide
CID 75484165
2-(furan-2-yl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide
CID 139001083
2-[(7S)-7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide
CID 97346708
2-[7-[(4-methylphenyl)carbamoylamino]-4,5,6,7-tetrahydroindazol-2-yl]acetamide
CID 75475543
N-[(7S)-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 97346848
2-(3-chloro-2-ethoxyphenyl)-N-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)acetamide
CID 139008177
N,N-dimethyl-2-[7-(phenylcarbamoylamino)-4,5,6,7-tetrahydroindazol-2-yl]acetamide
CID 75475527
1-(4-tert-butylphenyl)-3-cyclopropylurea
CID 47127423
N-methyl-2-propan-2-yl-5,6-dihydro-4H-cyclopenta[c]pyrazol-6-amine
CID 112712282
4-[[(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)amino]methyl]benzonitrile
CID 75484159
N-[4-methylsulfonyl-2-(trifluoromethyl)phenyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-amine
CID 138999023

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)-3-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea?
The IUPAC name of 1-(4-tert-butylphenyl)-3-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea (CID 166205955) is 1-(4-tert-butylphenyl)-3-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea.
What is the SMILES notation for 1-(4-tert-butylphenyl)-3-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea?
The canonical SMILES for 1-(4-tert-butylphenyl)-3-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea is CC(C)n1cc2c(n1)C(NC(=O)Nc1ccc(C(C)(C)C)cc1)CCC2.
What is the InChIKey of 1-(4-tert-butylphenyl)-3-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea?
The InChIKey is WNDDNBOOROKLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-14(2)25-13-15-7-6-8-18(19(15)24-25)23-20(26)22-17-11-9-16(10-12-17)21(3,4)5/h9-14,18H,6-8H2,1-5H3,(H2,22,23,26).
What are the key properties of 1-(4-tert-butylphenyl)-3-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea?
1-(4-tert-butylphenyl)-3-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea has a molecular weight of 354.50 g/mol, XLogP of 4.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)-3-(2-propan-2-yl-4,5,6,7-tetrahydroindazol-7-yl)urea is sourced from PubChem (CID 166205955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).