N-(2-cyclopentylpyrazol-3-yl)-3,5-dimethoxy-4-phenylmethoxybenzamide

C24H27N3O4 — CID 55429489

IUPACN-(2-cyclopentylpyrazol-3-yl)-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccnn2C2CCCC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C24H27N3O4/c1-29-20-14-18(15-21(30-2)23(20)31-16-17-8-4-3-5-9-17)24(28)26-22-12-13-25-27(22)19-10-6-7-11-19/h3-5,8-9,12-15,19H,6-7,10-11,16H2,1-2H3,(H,26,28)
InChIKeyFAVTYABAWCRVLN-UHFFFAOYSA-N
MW421.50 g/mol
LogP4.85
Rot. Bonds8

About N-(2-cyclopentylpyrazol-3-yl)-3,5-dimethoxy-4-phenylmethoxybenzamide

N-(2-cyclopentylpyrazol-3-yl)-3,5-dimethoxy-4-phenylmethoxybenzamide (PubChem CID 55429489) has the molecular formula C24H27N3O4 and a molecular weight of 421.50 g/mol. Its IUPAC name is N-(2-cyclopentylpyrazol-3-yl)-3,5-dimethoxy-4-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(2-cyclopentylpyrazol-3-yl)-3,5-dimethoxy-4-phenylmethoxybenzamide
PubChem CID55429489
Molecular FormulaC24H27N3O4
Molecular Weight421.50 g/mol
Exact Mass421.20
IUPAC NameN-(2-cyclopentylpyrazol-3-yl)-3,5-dimethoxy-4-phenylmethoxybenzamide
SMILESCOc1cc(C(=O)Nc2ccnn2C2CCCC2)cc(OC)c1OCc1ccccc1
InChIInChI=1S/C24H27N3O4/c1-29-20-14-18(15-21(30-2)23(20)31-16-17-8-4-3-5-9-17)24(28)26-22-12-13-25-27(22)19-10-6-7-11-19/h3-5,8-9,12-15,19H,6-7,10-11,16H2,1-2H3,(H,26,28)
InChIKeyFAVTYABAWCRVLN-UHFFFAOYSA-N
XLogP4.85
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.50
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-2-methoxybenzamide
CID 25450557
N-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
CID 78772110
(4-cyclopentylpiperazin-1-yl)-(3,5-dimethoxy-4-phenylmethoxyphenyl)methanone
CID 55584698
3,5-dimethoxy-4-phenylmethoxy-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 46526102
N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24794158
3,5-dimethoxy-4-phenylmethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55803613
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
N-(4-bromophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 16567430
N-(4-chlorophenyl)-3,5-dimethoxy-4-phenylmethoxybenzamide
CID 9243640
3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 163363376

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-3,5-dimethoxy-4-phenylmethoxybenzamide?
The IUPAC name of N-(2-cyclopentylpyrazol-3-yl)-3,5-dimethoxy-4-phenylmethoxybenzamide (CID 55429489) is N-(2-cyclopentylpyrazol-3-yl)-3,5-dimethoxy-4-phenylmethoxybenzamide.
What is the SMILES notation for N-(2-cyclopentylpyrazol-3-yl)-3,5-dimethoxy-4-phenylmethoxybenzamide?
The canonical SMILES for N-(2-cyclopentylpyrazol-3-yl)-3,5-dimethoxy-4-phenylmethoxybenzamide is COc1cc(C(=O)Nc2ccnn2C2CCCC2)cc(OC)c1OCc1ccccc1.
What is the InChIKey of N-(2-cyclopentylpyrazol-3-yl)-3,5-dimethoxy-4-phenylmethoxybenzamide?
The InChIKey is FAVTYABAWCRVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O4/c1-29-20-14-18(15-21(30-2)23(20)31-16-17-8-4-3-5-9-17)24(28)26-22-12-13-25-27(22)19-10-6-7-11-19/h3-5,8-9,12-15,19H,6-7,10-11,16H2,1-2H3,(H,26,28).
What are the key properties of N-(2-cyclopentylpyrazol-3-yl)-3,5-dimethoxy-4-phenylmethoxybenzamide?
N-(2-cyclopentylpyrazol-3-yl)-3,5-dimethoxy-4-phenylmethoxybenzamide has a molecular weight of 421.50 g/mol, XLogP of 4.85, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylpyrazol-3-yl)-3,5-dimethoxy-4-phenylmethoxybenzamide is sourced from PubChem (CID 55429489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).