5-[(4-fluorophenyl)methoxy]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide

C20H26FN3O2 — CID 146597678

IUPAC5-[(4-fluorophenyl)methoxy]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCCn1nc(C(=O)N(C)C)c2c1CCC(OCc1ccc(F)cc1)C2
InChIInChI=1S/C20H26FN3O2/c1-4-11-24-18-10-9-16(26-13-14-5-7-15(21)8-6-14)12-17(18)19(22-24)20(25)23(2)3/h5-8,16H,4,9-13H2,1-3H3
InChIKeyHYBOJXGBVWSNGV-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.21
Rot. Bonds6

About 5-[(4-fluorophenyl)methoxy]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide

5-[(4-fluorophenyl)methoxy]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 146597678) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID146597678
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC Name5-[(4-fluorophenyl)methoxy]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCCn1nc(C(=O)N(C)C)c2c1CCC(OCc1ccc(F)cc1)C2
InChIInChI=1S/C20H26FN3O2/c1-4-11-24-18-10-9-16(26-13-14-5-7-15(21)8-6-14)12-17(18)19(22-24)20(25)23(2)3/h5-8,16H,4,9-13H2,1-3H3
InChIKeyHYBOJXGBVWSNGV-UHFFFAOYSA-N
XLogP3.21
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

US11098058, Example 21
CID 137408176
Ethyl 6-ethyl-2-[(4-methoxycarbonylphenyl)methyl]-3-methyl-7-oxopyrazolo[3,4-d]pyridazine-4-carboxylate
CID 46887281
3-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-8-methyl-5-(2-oxo-2-piperidin-1-ylethyl)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
CID 50832540
N-[(4-Fluorophenyl)methyl]-5-[2-(3-methoxyphenyl)acetyl]-1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-C]pyridine-3-carboxamide
CID 53066550
2-[(3-Fluoro-4-methoxyphenyl)methyl]-1H,2H,7H,8H,9H,10H-pyrazino[1,2-B]indazol-1-one
CID 91890166
US11607396, Example 13
CID 134563870
US11607396, Example 37
CID 162572374
ethyl 4-({[3-oxo-2-(pyrrolidin-1-ylcarbonyl)-3,4-dihydro-2H-1,4-benzothiazin-6-yl]sulfonyl}amino)benzoate
CID 50832315
(2,6-difluorophenyl)-[1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 50832416
(4-fluorophenyl)-[1-methyl-3-[(2-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 50832448
(3-fluorophenyl)-[1-methyl-3-[(4-methylphenyl)methoxymethyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]methanone
CID 50832695
(3-{[(2-Fluorobenzyl)oxy]methyl}-1-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-C]pyridin-5-YL)(phenyl)methanone
CID 50832731

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 146597678) is 5-[(4-fluorophenyl)methoxy]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide is CCCn1nc(C(=O)N(C)C)c2c1CCC(OCc1ccc(F)cc1)C2.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is HYBOJXGBVWSNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-4-11-24-18-10-9-16(26-13-14-5-7-15(21)8-6-14)12-17(18)19(22-24)20(25)23(2)3/h5-8,16H,4,9-13H2,1-3H3.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide?
5-[(4-fluorophenyl)methoxy]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 3.21, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-N,N-dimethyl-1-propyl-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 146597678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).