N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]formamide

C14H17N3O3 — CID 156742460

IUPACN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]formamide
SMILESCOc1cc(CCc2cc(NC=O)n[nH]2)cc(OC)c1
InChIInChI=1S/C14H17N3O3/c1-19-12-5-10(6-13(8-12)20-2)3-4-11-7-14(15-9-18)17-16-11/h5-9H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyXDOJYNFJYSWMLA-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.78
Rot. Bonds7

About N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]formamide

N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]formamide (PubChem CID 156742460) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]formamide.

Molecular Properties

Compound NameN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]formamide
PubChem CID156742460
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC NameN-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]formamide
SMILESCOc1cc(CCc2cc(NC=O)n[nH]2)cc(OC)c1
InChIInChI=1S/C14H17N3O3/c1-19-12-5-10(6-13(8-12)20-2)3-4-11-7-14(15-9-18)17-16-11/h5-9H,3-4H2,1-2H3,(H2,15,16,17,18)
InChIKeyXDOJYNFJYSWMLA-UHFFFAOYSA-N
XLogP1.78
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]formamide;2,3,4,5,6-pentafluoro-N-(2-methylphenyl)benzenesulfonamide
CID 156742514
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3,3-dimethylbutanamide
CID 86972583
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-2-phenylpyrimidine-5-carboxamide
CID 86972575
4-acetyl-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide
CID 86972590
1-[2-(3,5-dimethoxyphenyl)ethyl]-3,5-dimethoxybenzene
CID 4670736
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-3-methyl-2-nitrobenzamide
CID 86972613
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[(3S)-3,5-dimethylpiperazin-1-yl]benzamide
CID 130413665
4-[5-[[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]carbamoyl]thiophen-2-yl]piperazine-1-carboxylic acid
CID 66589737
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-5-[3-(methylamino)pyrrolidin-1-yl]pyrazine-2-carboxamide
CID 66589962
4-(hydroxymethyl)-N-[5-[2-(3-methoxyphenyl)ethyl]-1H-pyrazol-3-yl]benzamide
CID 66589783
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]-4-[[methyl(oxolan-2-ylmethyl)amino]methyl]benzamide
CID 66589693
5-(4-cyclopropyl-1,4-diazepan-1-yl)-N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]pyrazine-2-carboxamide
CID 66589858

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]formamide?
The IUPAC name of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]formamide (CID 156742460) is N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]formamide.
What is the SMILES notation for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]formamide?
The canonical SMILES for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]formamide is COc1cc(CCc2cc(NC=O)n[nH]2)cc(OC)c1.
What is the InChIKey of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]formamide?
The InChIKey is XDOJYNFJYSWMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-19-12-5-10(6-13(8-12)20-2)3-4-11-7-14(15-9-18)17-16-11/h5-9H,3-4H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]formamide?
N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]formamide has a molecular weight of 275.31 g/mol, XLogP of 1.78, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-(3,5-dimethoxyphenyl)ethyl]-1H-pyrazol-3-yl]formamide is sourced from PubChem (CID 156742460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).