2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide

C25H29N5O2 — CID 167868677

IUPAC2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cccc(NC(=O)NC2CCCc3c2cnn3Cc2ccccc2)c1
InChIInChI=1S/C25H29N5O2/c1-29(2)24(31)15-19-10-6-11-20(14-19)27-25(32)28-22-12-7-13-23-21(22)16-26-30(23)17-18-8-4-3-5-9-18/h3-6,8-11,14,16,22H,7,12-13,15,17H2,1-2H3,(H2,27,28,32)
InChIKeySRENAAMAZMNSFD-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.76
Rot. Bonds6

About 2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide

2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide (PubChem CID 167868677) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide
PubChem CID167868677
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide
SMILESCN(C)C(=O)Cc1cccc(NC(=O)NC2CCCc3c2cnn3Cc2ccccc2)c1
InChIInChI=1S/C25H29N5O2/c1-29(2)24(31)15-19-10-6-11-20(14-19)27-25(32)28-22-12-7-13-23-21(22)16-26-30(23)17-18-8-4-3-5-9-18/h3-6,8-11,14,16,22H,7,12-13,15,17H2,1-2H3,(H2,27,28,32)
InChIKeySRENAAMAZMNSFD-UHFFFAOYSA-N
XLogP3.76
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide with MolForge

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Related Compounds

1-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(4-methylphenyl)urea
CID 51939747
1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-hydroxybutan-2-yl)urea
CID 110892499
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide
CID 51939181
1-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dicyclopropylmethyl)urea
CID 94187302
1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(1-ethyltriazol-4-yl)urea
CID 167955144
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-(2-hydroxyphenyl)acetamide
CID 52513366
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
CID 31897730
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxyacetamide
CID 31897688
1-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-3-(2-pyrazol-1-ylphenyl)urea
CID 167919793
3-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-1-[(4-methoxyphenyl)methyl]-1-methylurea
CID 166180370
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylacetamide
CID 55637955
N-[2-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)amino]-2-oxoethyl]-N-methylfuran-2-carboxamide
CID 46416506

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide (CID 167868677) is 2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide is CN(C)C(=O)Cc1cccc(NC(=O)NC2CCCc3c2cnn3Cc2ccccc2)c1.
What is the InChIKey of 2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide?
The InChIKey is SRENAAMAZMNSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-29(2)24(31)15-19-10-6-11-20(14-19)27-25(32)28-22-12-7-13-23-21(22)16-26-30(23)17-18-8-4-3-5-9-18/h3-6,8-11,14,16,22H,7,12-13,15,17H2,1-2H3,(H2,27,28,32).
What are the key properties of 2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide?
2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide has a molecular weight of 431.54 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)carbamoylamino]phenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 167868677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).