N-[2-(3,4-dimethoxyphenyl)ethyl]-3-propoxy-1-propylpyrazole-4-carboxamide

C20H29N3O4 — CID 16925523

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-3-propoxy-1-propylpyrazole-4-carboxamide
SMILESCCCOc1nn(CCC)cc1C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H29N3O4/c1-5-11-23-14-16(20(22-23)27-12-6-2)19(24)21-10-9-15-7-8-17(25-3)18(13-15)26-4/h7-8,13-14H,5-6,9-12H2,1-4H3,(H,21,24)
InChIKeyJWIYWHDGAUUYDS-UHFFFAOYSA-N
MW375.47 g/mol
LogP3.07
Rot. Bonds11

About N-[2-(3,4-dimethoxyphenyl)ethyl]-3-propoxy-1-propylpyrazole-4-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-3-propoxy-1-propylpyrazole-4-carboxamide (PubChem CID 16925523) has the molecular formula C20H29N3O4 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-propoxy-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-propoxy-1-propylpyrazole-4-carboxamide
PubChem CID16925523
Molecular FormulaC20H29N3O4
Molecular Weight375.47 g/mol
Exact Mass375.22
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-3-propoxy-1-propylpyrazole-4-carboxamide
SMILESCCCOc1nn(CCC)cc1C(=O)NCCc1ccc(OC)c(OC)c1
InChIInChI=1S/C20H29N3O4/c1-5-11-23-14-16(20(22-23)27-12-6-2)19(24)21-10-9-15-7-8-17(25-3)18(13-15)26-4/h7-8,13-14H,5-6,9-12H2,1-4H3,(H,21,24)
InChIKeyJWIYWHDGAUUYDS-UHFFFAOYSA-N
XLogP3.07
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-propoxy-1-propylpyrazole-4-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-propoxy-1-propylpyrazole-4-carboxamide (CID 16925523) is N-[2-(3,4-dimethoxyphenyl)ethyl]-3-propoxy-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-propoxy-1-propylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-propoxy-1-propylpyrazole-4-carboxamide is CCCOc1nn(CCC)cc1C(=O)NCCc1ccc(OC)c(OC)c1.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-propoxy-1-propylpyrazole-4-carboxamide?
The InChIKey is JWIYWHDGAUUYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4/c1-5-11-23-14-16(20(22-23)27-12-6-2)19(24)21-10-9-15-7-8-17(25-3)18(13-15)26-4/h7-8,13-14H,5-6,9-12H2,1-4H3,(H,21,24).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-3-propoxy-1-propylpyrazole-4-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-propoxy-1-propylpyrazole-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 3.07, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-3-propoxy-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 16925523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).