1-[3-tert-butyl-1-(2,3-dihydro-1H-indol-5-yl)pyrazol-5-yl]-3-(3-cyanophenyl)urea

C23H24N6O — CID 58851361

IUPAC1-[3-tert-butyl-1-(2,3-dihydro-1H-indol-5-yl)pyrazol-5-yl]-3-(3-cyanophenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2cccc(C#N)c2)n(-c2ccc3c(c2)CCN3)n1
InChIInChI=1S/C23H24N6O/c1-23(2,3)20-13-21(27-22(30)26-17-6-4-5-15(11-17)14-24)29(28-20)18-7-8-19-16(12-18)9-10-25-19/h4-8,11-13,25H,9-10H2,1-3H3,(H2,26,27,30)
InChIKeyNVYGDJOXSBVPFE-UHFFFAOYSA-N
MW400.49 g/mol
LogP4.65
Rot. Bonds3

About 1-[3-tert-butyl-1-(2,3-dihydro-1H-indol-5-yl)pyrazol-5-yl]-3-(3-cyanophenyl)urea

1-[3-tert-butyl-1-(2,3-dihydro-1H-indol-5-yl)pyrazol-5-yl]-3-(3-cyanophenyl)urea (PubChem CID 58851361) has the molecular formula C23H24N6O and a molecular weight of 400.49 g/mol. Its IUPAC name is 1-[3-tert-butyl-1-(2,3-dihydro-1H-indol-5-yl)pyrazol-5-yl]-3-(3-cyanophenyl)urea.

Molecular Properties

Compound Name1-[3-tert-butyl-1-(2,3-dihydro-1H-indol-5-yl)pyrazol-5-yl]-3-(3-cyanophenyl)urea
PubChem CID58851361
Molecular FormulaC23H24N6O
Molecular Weight400.49 g/mol
Exact Mass400.20
IUPAC Name1-[3-tert-butyl-1-(2,3-dihydro-1H-indol-5-yl)pyrazol-5-yl]-3-(3-cyanophenyl)urea
SMILESCC(C)(C)c1cc(NC(=O)Nc2cccc(C#N)c2)n(-c2ccc3c(c2)CCN3)n1
InChIInChI=1S/C23H24N6O/c1-23(2,3)20-13-21(27-22(30)26-17-6-4-5-15(11-17)14-24)29(28-20)18-7-8-19-16(12-18)9-10-25-19/h4-8,11-13,25H,9-10H2,1-3H3,(H2,26,27,30)
InChIKeyNVYGDJOXSBVPFE-UHFFFAOYSA-N
XLogP4.65
TPSA94.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.49
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-tert-butyl-1-(2,3-dihydro-1H-indol-6-yl)pyrazol-5-yl]-3-naphthalen-1-ylurea
CID 58851367
1-[3-tert-butyl-1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrazol-5-yl]-3-(3,5-difluorophenyl)urea
CID 58851667
N-[3-tert-butyl-1-(4-chlorophenyl)pyrazol-5-yl]-2-[(3-cyanophenyl)carbamoyl-ethylamino]acetamide
CID 1062134
tert-butyl N-[3-[[3-tert-butyl-1-(3-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]carbamate
CID 101043408
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525
methyl 6-[3-tert-butyl-5-[(3-pyridin-3-yloxyphenyl)carbamoylamino]pyrazol-1-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxylate
CID 67271984
1-[3-tert-butyl-1-(3-cyanophenyl)pyrazol-5-yl]-3-[3-methyl-4-[[2-(2-methylpyrazol-3-yl)-4-pyridinyl]oxy]phenyl]urea
CID 25105825
1-[3-tert-butyl-1-[1-(2,2,2-trifluoroacetyl)-2,3-dihydroindol-5-yl]pyrazol-5-yl]-3-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
CID 87332810
1-(5-tert-butyl-1H-pyrazol-3-yl)-3-(3-cyanophenyl)urea
CID 104620477
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
6-[3-tert-butyl-5-[[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]carbamoylamino]pyrazol-1-yl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid
CID 69481360
1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-(4-pyridin-3-ylphenyl)urea
CID 71695585

Frequently Asked Questions

What is the IUPAC name of 1-[3-tert-butyl-1-(2,3-dihydro-1H-indol-5-yl)pyrazol-5-yl]-3-(3-cyanophenyl)urea?
The IUPAC name of 1-[3-tert-butyl-1-(2,3-dihydro-1H-indol-5-yl)pyrazol-5-yl]-3-(3-cyanophenyl)urea (CID 58851361) is 1-[3-tert-butyl-1-(2,3-dihydro-1H-indol-5-yl)pyrazol-5-yl]-3-(3-cyanophenyl)urea.
What is the SMILES notation for 1-[3-tert-butyl-1-(2,3-dihydro-1H-indol-5-yl)pyrazol-5-yl]-3-(3-cyanophenyl)urea?
The canonical SMILES for 1-[3-tert-butyl-1-(2,3-dihydro-1H-indol-5-yl)pyrazol-5-yl]-3-(3-cyanophenyl)urea is CC(C)(C)c1cc(NC(=O)Nc2cccc(C#N)c2)n(-c2ccc3c(c2)CCN3)n1.
What is the InChIKey of 1-[3-tert-butyl-1-(2,3-dihydro-1H-indol-5-yl)pyrazol-5-yl]-3-(3-cyanophenyl)urea?
The InChIKey is NVYGDJOXSBVPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O/c1-23(2,3)20-13-21(27-22(30)26-17-6-4-5-15(11-17)14-24)29(28-20)18-7-8-19-16(12-18)9-10-25-19/h4-8,11-13,25H,9-10H2,1-3H3,(H2,26,27,30).
What are the key properties of 1-[3-tert-butyl-1-(2,3-dihydro-1H-indol-5-yl)pyrazol-5-yl]-3-(3-cyanophenyl)urea?
1-[3-tert-butyl-1-(2,3-dihydro-1H-indol-5-yl)pyrazol-5-yl]-3-(3-cyanophenyl)urea has a molecular weight of 400.49 g/mol, XLogP of 4.65, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-tert-butyl-1-(2,3-dihydro-1H-indol-5-yl)pyrazol-5-yl]-3-(3-cyanophenyl)urea is sourced from PubChem (CID 58851361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).