3-(dimethoxymethyl)-1-[(3-methoxyphenyl)methyl]pyrazole

C14H18N2O3 — CID 174759422

IUPAC3-(dimethoxymethyl)-1-[(3-methoxyphenyl)methyl]pyrazole
SMILESCOc1cccc(Cn2ccc(C(OC)OC)n2)c1
InChIInChI=1S/C14H18N2O3/c1-17-12-6-4-5-11(9-12)10-16-8-7-13(15-16)14(18-2)19-3/h4-9,14H,10H2,1-3H3
InChIKeyVLFAHZMOIDPIBZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.23
Rot. Bonds6

About 3-(dimethoxymethyl)-1-[(3-methoxyphenyl)methyl]pyrazole

3-(dimethoxymethyl)-1-[(3-methoxyphenyl)methyl]pyrazole (PubChem CID 174759422) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-(dimethoxymethyl)-1-[(3-methoxyphenyl)methyl]pyrazole.

Molecular Properties

Compound Name3-(dimethoxymethyl)-1-[(3-methoxyphenyl)methyl]pyrazole
PubChem CID174759422
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-(dimethoxymethyl)-1-[(3-methoxyphenyl)methyl]pyrazole
SMILESCOc1cccc(Cn2ccc(C(OC)OC)n2)c1
InChIInChI=1S/C14H18N2O3/c1-17-12-6-4-5-11(9-12)10-16-8-7-13(15-16)14(18-2)19-3/h4-9,14H,10H2,1-3H3
InChIKeyVLFAHZMOIDPIBZ-UHFFFAOYSA-N
XLogP2.23
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-1-[(3-methoxyphenyl)methyl]pyrazole
CID 174759475
1-[(3-methoxyphenyl)methyl]pyrazol-4-amine;hydrochloride
CID 44630925
2-(3-methoxyphenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 65200559
N-[[1-[(3-methoxyphenyl)methyl]triazol-4-yl]methyl]ethanamine
CID 66193895
1-[(3-methoxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]piperazine
CID 2873492
4-(2-chloroethyl)-1-[(3-methoxyphenyl)methyl]triazole
CID 62401413
4-[(3-methoxyphenyl)methyl]thiomorpholine
CID 763908
ethane;1-ethyl-4-[(3-methoxyphenyl)methyl]piperazine
CID 166149452
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148
1-[(3-methoxyphenyl)methyl]-1,2,4-triazole-3,5-diamine
CID 121320242
3,5-dibromo-1-[(3-methoxyphenyl)methyl]-1,2,4-triazole
CID 50999870
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805

Frequently Asked Questions

What is the IUPAC name of 3-(dimethoxymethyl)-1-[(3-methoxyphenyl)methyl]pyrazole?
The IUPAC name of 3-(dimethoxymethyl)-1-[(3-methoxyphenyl)methyl]pyrazole (CID 174759422) is 3-(dimethoxymethyl)-1-[(3-methoxyphenyl)methyl]pyrazole.
What is the SMILES notation for 3-(dimethoxymethyl)-1-[(3-methoxyphenyl)methyl]pyrazole?
The canonical SMILES for 3-(dimethoxymethyl)-1-[(3-methoxyphenyl)methyl]pyrazole is COc1cccc(Cn2ccc(C(OC)OC)n2)c1.
What is the InChIKey of 3-(dimethoxymethyl)-1-[(3-methoxyphenyl)methyl]pyrazole?
The InChIKey is VLFAHZMOIDPIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-17-12-6-4-5-11(9-12)10-16-8-7-13(15-16)14(18-2)19-3/h4-9,14H,10H2,1-3H3.
What are the key properties of 3-(dimethoxymethyl)-1-[(3-methoxyphenyl)methyl]pyrazole?
3-(dimethoxymethyl)-1-[(3-methoxyphenyl)methyl]pyrazole has a molecular weight of 262.31 g/mol, XLogP of 2.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethoxymethyl)-1-[(3-methoxyphenyl)methyl]pyrazole is sourced from PubChem (CID 174759422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).