N-(1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C20H24FN3O — CID 42942412

IUPACN-(1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(C1CC1)N(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C20H24FN3O/c1-13(14-7-8-14)23(2)20(25)19-17-5-3-4-6-18(17)24(22-19)16-11-9-15(21)10-12-16/h9-14H,3-8H2,1-2H3
InChIKeyUMYSKRLBRXMIFP-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.76
Rot. Bonds4

About N-(1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide

N-(1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 42942412) has the molecular formula C20H24FN3O and a molecular weight of 341.43 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID42942412
Molecular FormulaC20H24FN3O
Molecular Weight341.43 g/mol
Exact Mass341.19
IUPAC NameN-(1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCC(C1CC1)N(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2
InChIInChI=1S/C20H24FN3O/c1-13(14-7-8-14)23(2)20(25)19-17-5-3-4-6-18(17)24(22-19)16-11-9-15(21)10-12-16/h9-14H,3-8H2,1-2H3
InChIKeyUMYSKRLBRXMIFP-UHFFFAOYSA-N
XLogP3.76
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]-methylamino]acetic acid
CID 119172389
N-[4-(dimethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 41191360
[2-[di(propan-2-yl)amino]-2-oxoethyl] 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 16603476
2-[ethyl-[1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]acetic acid
CID 119206416
1-(4-fluorophenyl)-N-(3-propan-2-yloxypropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 30544749
(1-amino-1-oxopropan-2-yl) 1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxylate
CID 42886721
N-(2,5-dimethylphenyl)-1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55917454
1-(4-fluorophenyl)-N-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 47017376
N-tert-butyl-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 134036515
N-cyclopropyl-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 18136479
[1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazol-3-yl]-[3-(methylamino)pyrrolidin-1-yl]methanone;hydrochloride
CID 75495801
N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16591333

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-(1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 42942412) is N-(1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-(1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is CC(C1CC1)N(C)C(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2.
What is the InChIKey of N-(1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is UMYSKRLBRXMIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN3O/c1-13(14-7-8-14)23(2)20(25)19-17-5-3-4-6-18(17)24(22-19)16-11-9-15(21)10-12-16/h9-14H,3-8H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-(1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-1-(4-fluorophenyl)-N-methyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 42942412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).