N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-fluoro-4-methylcyclohexane-1-carboxamide

C15H22FN5O — CID 166292635

IUPACN-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-fluoro-4-methylcyclohexane-1-carboxamide
SMILESCCc1nn(C)c2n[nH]c(NC(=O)C3CCC(C)(F)CC3)c12
InChIInChI=1S/C15H22FN5O/c1-4-10-11-12(18-19-13(11)21(3)20-10)17-14(22)9-5-7-15(2,16)8-6-9/h9H,4-8H2,1-3H3,(H2,17,18,19,22)
InChIKeyYFQJUEGFEXWSGN-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.72
Rot. Bonds3

About N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-fluoro-4-methylcyclohexane-1-carboxamide

N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-fluoro-4-methylcyclohexane-1-carboxamide (PubChem CID 166292635) has the molecular formula C15H22FN5O and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-fluoro-4-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-fluoro-4-methylcyclohexane-1-carboxamide
PubChem CID166292635
Molecular FormulaC15H22FN5O
Molecular Weight307.37 g/mol
Exact Mass307.18
IUPAC NameN-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-fluoro-4-methylcyclohexane-1-carboxamide
SMILESCCc1nn(C)c2n[nH]c(NC(=O)C3CCC(C)(F)CC3)c12
InChIInChI=1S/C15H22FN5O/c1-4-10-11-12(18-19-13(11)21(3)20-10)17-14(22)9-5-7-15(2,16)8-6-9/h9H,4-8H2,1-3H3,(H2,17,18,19,22)
InChIKeyYFQJUEGFEXWSGN-UHFFFAOYSA-N
XLogP2.72
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-(trifluoromethyl)oxolane-2-carboxamide
CID 166318378
(2R)-2-acetamido-2-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide
CID 136673937
1-cyclopentyl-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)pyrazole-3-carboxamide
CID 137186578
(2S)-N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-methoxy-2-phenylacetamide
CID 136807926
(2S,5R)-5-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxolane-2-carboxamide;hydrochloride
CID 137104607
2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)cyclooctane-1-carboxamide
CID 137049990
N-[6-methyl-4-(trifluoromethyl)-2H-pyrazolo[3,4-c]pyrazol-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-5-carboxamide
CID 156584966
4-(aminomethyl)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)oxane-4-carboxamide
CID 137095499
N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(1-hydroxycyclohexyl)acetamide
CID 136926147
(3aS,7aR)-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-1,2,3,4,5,6,7,7a-octahydroisoindole-3a-carboxamide
CID 137064266
2-[(1S,2R)-2-aminocyclopentyl]-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)acetamide;hydrochloride
CID 137169883
2-amino-N-(4,6-dimethyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-2-(oxan-4-yl)acetamide
CID 137104610

Frequently Asked Questions

What is the IUPAC name of N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-fluoro-4-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-fluoro-4-methylcyclohexane-1-carboxamide (CID 166292635) is N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-fluoro-4-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-fluoro-4-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-fluoro-4-methylcyclohexane-1-carboxamide is CCc1nn(C)c2n[nH]c(NC(=O)C3CCC(C)(F)CC3)c12.
What is the InChIKey of N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-fluoro-4-methylcyclohexane-1-carboxamide?
The InChIKey is YFQJUEGFEXWSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN5O/c1-4-10-11-12(18-19-13(11)21(3)20-10)17-14(22)9-5-7-15(2,16)8-6-9/h9H,4-8H2,1-3H3,(H2,17,18,19,22).
What are the key properties of N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-fluoro-4-methylcyclohexane-1-carboxamide?
N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-fluoro-4-methylcyclohexane-1-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethyl-6-methyl-2H-pyrazolo[3,4-c]pyrazol-3-yl)-4-fluoro-4-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 166292635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).