N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyrazol-1-ylacetamide

C20H23N5O — CID 24790224

IUPACN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyrazol-1-ylacetamide
SMILESCc1cccc(-n2ncc3c2CCCC3NC(=O)Cn2cccn2)c1C
InChIInChI=1S/C20H23N5O/c1-14-6-3-8-18(15(14)2)25-19-9-4-7-17(16(19)12-22-25)23-20(26)13-24-11-5-10-21-24/h3,5-6,8,10-12,17H,4,7,9,13H2,1-2H3,(H,23,26)
InChIKeyMDWCUUXIKHQKQR-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.88
Rot. Bonds4

About N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyrazol-1-ylacetamide

N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyrazol-1-ylacetamide (PubChem CID 24790224) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyrazol-1-ylacetamide
PubChem CID24790224
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyrazol-1-ylacetamide
SMILESCc1cccc(-n2ncc3c2CCCC3NC(=O)Cn2cccn2)c1C
InChIInChI=1S/C20H23N5O/c1-14-6-3-8-18(15(14)2)25-19-9-4-7-17(16(19)12-22-25)23-20(26)13-24-11-5-10-21-24/h3,5-6,8,10-12,17H,4,7,9,13H2,1-2H3,(H,23,26)
InChIKeyMDWCUUXIKHQKQR-UHFFFAOYSA-N
XLogP2.88
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-4,5-dihydro-1H-benzo[b][1,4]diazepin-2(3H)-one
CID 121271792
1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one
CID 132186817
N-[2-(2-methyl-2,6,7,8-tetrahydrocyclopenta[e] indazol-8-yl)ethyl]propanamide
CID 25024912
N-[2-(2-methyl-2,6,7,8-tetrahydrocyclopenta[e]indazol-8-yl)ethyl]acetamide
CID 59145872
2-(1H-indazol-1-yl)-N-mesitylacetamide
CID 20885360
2-(1H-indazol-1-yl)-N-(4-isopropylphenyl)acetamide
CID 20885372
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-4-pentenamide
CID 23723494
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methyl-3-pyrazolecarboxamide
CID 24817447
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-3-(1-methyl-1H-pyrazol-4-yl)acrylamide
CID 844520
N-[3,5-dimethyl-1-(2-methylbenzyl)-1H-pyrazol-4-yl]-3-(1-ethyl-1H-pyrazol-4-yl)acrylamide
CID 1001179
N-[4-(dimethylamino)phenyl]-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
CID 5309243
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2,5-dimethyl-3-pyrazolecarboxamide
CID 24791863

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyrazol-1-ylacetamide (CID 24790224) is N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyrazol-1-ylacetamide is Cc1cccc(-n2ncc3c2CCCC3NC(=O)Cn2cccn2)c1C.
What is the InChIKey of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyrazol-1-ylacetamide?
The InChIKey is MDWCUUXIKHQKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-6-3-8-18(15(14)2)25-19-9-4-7-17(16(19)12-22-25)23-20(26)13-24-11-5-10-21-24/h3,5-6,8,10-12,17H,4,7,9,13H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyrazol-1-ylacetamide?
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyrazol-1-ylacetamide has a molecular weight of 349.44 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 24790224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).