N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide

C15H18F3N5O — CID 136570586

IUPACN-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
SMILESCn1nc2c(c1NC(=O)Cc1ccn(CC(F)(F)F)n1)CCCC2
InChIInChI=1S/C15H18F3N5O/c1-22-14(11-4-2-3-5-12(11)21-22)19-13(24)8-10-6-7-23(20-10)9-15(16,17)18/h6-7H,2-5,8-9H2,1H3,(H,19,24)
InChIKeyMDQHIPKMJWCDLW-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.24
Rot. Bonds4

About N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide

N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide (PubChem CID 136570586) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
PubChem CID136570586
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC NameN-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide
SMILESCn1nc2c(c1NC(=O)Cc1ccn(CC(F)(F)F)n1)CCCC2
InChIInChI=1S/C15H18F3N5O/c1-22-14(11-4-2-3-5-12(11)21-22)19-13(24)8-10-6-7-23(20-10)9-15(16,17)18/h6-7H,2-5,8-9H2,1H3,(H,19,24)
InChIKeyMDQHIPKMJWCDLW-UHFFFAOYSA-N
XLogP2.24
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-ethylpyrazol-3-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 71688969
1-tert-butyl-4-(1,5-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135632399
1-tert-butyl-4-(1,3-dimethyl-1H-pyrazol-4-yl)-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135632575
4-(1,5-dimethyl-1H-pyrazol-4-yl)-1-isopropyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135632765
4-(1,3-dimethyl-1H-pyrazol-4-yl)-1-methyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6-ol
CID 135632837
4-(1,3-dimethyl-1H-pyrazol-4-yl)-1-isopropyl-4,5-dihydro-1H-pyrazolo[3,4-b]pyridin-6(7H)-one
CID 135632978
N-(2-propan-2-ylpyrazol-3-yl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 45801772
N-(1-ethyl-4-methyl-1H-pyrazol-5-yl)-3-(1-methyl-1H-pyrazol-5-yl)propanamide
CID 132413729
5-(1,3-dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135646589
5-(1,5-dimethyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135646590
5-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-7-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidine
CID 135646591
(4S)-1-tert-butyl-4-(1,3-dimethylpyrazol-4-yl)-5,7-dihydro-4H-pyrazolo[5,4-b]pyridin-6-one
CID 136012252

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide?
The IUPAC name of N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide (CID 136570586) is N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide.
What is the SMILES notation for N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide?
The canonical SMILES for N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide is Cn1nc2c(c1NC(=O)Cc1ccn(CC(F)(F)F)n1)CCCC2.
What is the InChIKey of N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide?
The InChIKey is MDQHIPKMJWCDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-22-14(11-4-2-3-5-12(11)21-22)19-13(24)8-10-6-7-23(20-10)9-15(16,17)18/h6-7H,2-5,8-9H2,1H3,(H,19,24).
What are the key properties of N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide?
N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide has a molecular weight of 341.34 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)-2-[1-(2,2,2-trifluoroethyl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 136570586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).