N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C24H27N3O3 — CID 60585842

IUPACN-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccc(Cn2ncc(C)c2NC(=O)C2CCCc3ccccc32)cc1OC
InChIInChI=1S/C24H27N3O3/c1-16-14-25-27(15-17-11-12-21(29-2)22(13-17)30-3)23(16)26-24(28)20-10-6-8-18-7-4-5-9-19(18)20/h4-5,7,9,11-14,20H,6,8,10,15H2,1-3H3,(H,26,28)
InChIKeyXZRQPFJUIJHPQI-UHFFFAOYSA-N
MW405.50 g/mol
LogP4.32
Rot. Bonds6

About N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 60585842) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID60585842
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESCOc1ccc(Cn2ncc(C)c2NC(=O)C2CCCc3ccccc32)cc1OC
InChIInChI=1S/C24H27N3O3/c1-16-14-25-27(15-17-11-12-21(29-2)22(13-17)30-3)23(16)26-24(28)20-10-6-8-18-7-4-5-9-19(18)20/h4-5,7,9,11-14,20H,6,8,10,15H2,1-3H3,(H,26,28)
InChIKeyXZRQPFJUIJHPQI-UHFFFAOYSA-N
XLogP4.32
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,4-dimethoxyphenyl)ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002068
2-(3,4-dichlorophenyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]acetamide
CID 60585679
N-(2,4-dimethoxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 134002451
N-(6-methoxy-5-phenylmethoxy-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 141051472
N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-(3-methyl-4-propan-2-ylphenoxy)propanamide
CID 60585893
N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-2-[methyl(thiophen-2-ylsulfonyl)amino]acetamide
CID 47074150
2-methoxy-5-[[(1S)-1,2,3,4-tetrahydronaphthalene-1-carbonyl]amino]pyridine-3-carboxamide
CID 129471163
N-(3-methyl-4-pyridin-3-yloxyphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 60581044
N-(2-methoxy-5-piperidin-1-ylsulfonylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55559494
2-(aminomethyl)-N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119749277
N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-3-(phenoxymethyl)-1-benzofuran-2-carboxamide
CID 47074151
N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 42946523

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 60585842) is N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is COc1ccc(Cn2ncc(C)c2NC(=O)C2CCCc3ccccc32)cc1OC.
What is the InChIKey of N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is XZRQPFJUIJHPQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16-14-25-27(15-17-11-12-21(29-2)22(13-17)30-3)23(16)26-24(28)20-10-6-8-18-7-4-5-9-19(18)20/h4-5,7,9,11-14,20H,6,8,10,15H2,1-3H3,(H,26,28).
What are the key properties of N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 405.50 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,4-dimethoxyphenyl)methyl]-4-methylpyrazol-5-yl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 60585842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).