3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide

C20H23N5O — CID 126769620

IUPAC3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)NC3CCc4[nH]ncc4C3)c2)n1
InChIInChI=1S/C20H23N5O/c1-13-8-14(2)25(24-13)12-15-4-3-5-16(9-15)20(26)22-18-6-7-19-17(10-18)11-21-23-19/h3-5,8-9,11,18H,6-7,10,12H2,1-2H3,(H,21,23)(H,22,26)
InChIKeyTYUFCBDKGLLLLA-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.56
Rot. Bonds4

About 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide (PubChem CID 126769620) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide.

Molecular Properties

Compound Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
PubChem CID126769620
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
SMILESCc1cc(C)n(Cc2cccc(C(=O)NC3CCc4[nH]ncc4C3)c2)n1
InChIInChI=1S/C20H23N5O/c1-13-8-14(2)25(24-13)12-15-4-3-5-16(9-15)20(26)22-18-6-7-19-17(10-18)11-21-23-19/h3-5,8-9,11,18H,6-7,10,12H2,1-2H3,(H,21,23)(H,22,26)
InChIKeyTYUFCBDKGLLLLA-UHFFFAOYSA-N
XLogP2.56
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119451087
3-(3-hydroxy-3-methylbutyl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 70713171
N-(8-azabicyclo[3.2.1]octan-3-yl)-3-[(3,5-dimethylpyrazol-1-yl)methyl]benzamide
CID 119456634
3-[[4-(1-hydroxy-2-methylpropyl)triazol-1-yl]methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-6-yl)benzamide
CID 166371837
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]benzamide
CID 111661556
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-2-oxo-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)acetamide
CID 167893332
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2S)-oxan-2-yl]methyl]benzamide
CID 95595180
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1,1-dioxothiolan-3-yl)methyl]benzamide
CID 51128124
3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide
CID 154753034
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(1-hydroxycyclopentyl)methyl]benzamide
CID 111331403
5-benzyl-1-methyl-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)pyrazole-4-carboxamide
CID 166218790
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(piperidin-3-ylmethyl)benzamide
CID 119461459

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The IUPAC name of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide (CID 126769620) is 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide.
What is the SMILES notation for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The canonical SMILES for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide is Cc1cc(C)n(Cc2cccc(C(=O)NC3CCc4[nH]ncc4C3)c2)n1.
What is the InChIKey of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
The InChIKey is TYUFCBDKGLLLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-13-8-14(2)25(24-13)12-15-4-3-5-16(9-15)20(26)22-18-6-7-19-17(10-18)11-21-23-19/h3-5,8-9,11,18H,6-7,10,12H2,1-2H3,(H,21,23)(H,22,26).
What are the key properties of 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide?
3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide has a molecular weight of 349.44 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethylpyrazol-1-yl)methyl]-N-(4,5,6,7-tetrahydro-1H-indazol-5-yl)benzamide is sourced from PubChem (CID 126769620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).