N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide

C22H25N3O3 — CID 24817733

IUPACN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NC2CCCc3c2cnn3-c2ccc(C)c(C)c2)o1
InChIInChI=1S/C22H25N3O3/c1-14-7-8-16(11-15(14)2)25-20-6-4-5-19(18(20)12-23-25)24-22(26)21-10-9-17(28-21)13-27-3/h7-12,19H,4-6,13H2,1-3H3,(H,24,26)
InChIKeyYRKWRTZXNMAEFK-UHFFFAOYSA-N
MW379.46 g/mol
LogP4.04
Rot. Bonds5

About N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide

N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide (PubChem CID 24817733) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide
PubChem CID24817733
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC NameN-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide
SMILESCOCc1ccc(C(=O)NC2CCCc3c2cnn3-c2ccc(C)c(C)c2)o1
InChIInChI=1S/C22H25N3O3/c1-14-7-8-16(11-15(14)2)25-20-6-4-5-19(18(20)12-23-25)24-22(26)21-10-9-17(28-21)13-27-3/h7-12,19H,4-6,13H2,1-3H3,(H,24,26)
InChIKeyYRKWRTZXNMAEFK-UHFFFAOYSA-N
XLogP4.04
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Furan-2-carboxamide deriv., 7
CID 44236894
5-[(3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-ethylphenyl)-2-furamide
CID 1224519
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,5-dimethyl-2-furamide
CID 24791124
N-(2,3-dimethylphenyl)-2-ethyl-8-methyl-4,5-dihydrofuro[2,3-g]indazole-7-carboxamide
CID 16018148
N-{1-[5-methyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]ethyl}-2-furamide
CID 16191279
N-[6,6-dimethyl-1-(2-methylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-5-methoxy-2-furamide
CID 24793103
N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3,5-dimethyl-2-furamide
CID 24816901
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-methoxyfuran-2-carboxamide
CID 24819168
5-(methoxymethyl)-N-[1-(4-methoxyphenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-furamide
CID 24817324
5-(methoxymethyl)-N-{1-[5-methyl-1-(2-methylphenyl)-1H-pyrazol-4-yl]ethyl}-2-furamide
CID 16189939
N-[1-(4-fluorophenyl)-6,6-dimethyl-4,5,6,7-tetrahydro-1H-indazol-4-yl]-5-[(methylthio)methyl]-2-furamide
CID 24790795
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-5-methoxy-2-furamide
CID 24794118

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide?
The IUPAC name of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide (CID 24817733) is N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide is COCc1ccc(C(=O)NC2CCCc3c2cnn3-c2ccc(C)c(C)c2)o1.
What is the InChIKey of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide?
The InChIKey is YRKWRTZXNMAEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-14-7-8-16(11-15(14)2)25-20-6-4-5-19(18(20)12-23-25)24-22(26)21-10-9-17(28-21)13-27-3/h7-12,19H,4-6,13H2,1-3H3,(H,24,26).
What are the key properties of N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide?
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-(methoxymethyl)furan-2-carboxamide is sourced from PubChem (CID 24817733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).