N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide

C14H17N3O3 — CID 723663

IUPACN-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccn[nH]2)cc1OC
InChIInChI=1S/C14H17N3O3/c1-19-12-4-3-10(9-13(12)20-2)5-7-15-14(18)11-6-8-16-17-11/h3-4,6,8-9H,5,7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyDRBZUPXDXQYVLE-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.40
Rot. Bonds6

About N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide

N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 723663) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID723663
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(CCNC(=O)c2ccn[nH]2)cc1OC
InChIInChI=1S/C14H17N3O3/c1-19-12-4-3-10(9-13(12)20-2)5-7-15-14(18)11-6-8-16-17-11/h3-4,6,8-9H,5,7H2,1-2H3,(H,15,18)(H,16,17)
InChIKeyDRBZUPXDXQYVLE-UHFFFAOYSA-N
XLogP1.40
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide (CID 723663) is N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide is COc1ccc(CCNC(=O)c2ccn[nH]2)cc1OC.
What is the InChIKey of N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is DRBZUPXDXQYVLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-12-4-3-10(9-13(12)20-2)5-7-15-14(18)11-6-8-16-17-11/h3-4,6,8-9H,5,7H2,1-2H3,(H,15,18)(H,16,17).
What are the key properties of N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide?
N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.40, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 723663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).