2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine

C13H17N3O3 — CID 4962730

IUPAC2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine
SMILESCOc1ccc(Cn2nccc2N)c(OC)c1OC
InChIInChI=1S/C13H17N3O3/c1-17-10-5-4-9(12(18-2)13(10)19-3)8-16-11(14)6-7-15-16/h4-7H,8,14H2,1-3H3
InChIKeyVPXMFSXEMSCXQE-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.54
Rot. Bonds5

About 2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine

2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine (PubChem CID 4962730) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine.

Molecular Properties

Compound Name2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine
PubChem CID4962730
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine
SMILESCOc1ccc(Cn2nccc2N)c(OC)c1OC
InChIInChI=1S/C13H17N3O3/c1-17-10-5-4-9(12(18-2)13(10)19-3)8-16-11(14)6-7-15-16/h4-7H,8,14H2,1-3H3
InChIKeyVPXMFSXEMSCXQE-UHFFFAOYSA-N
XLogP1.54
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine?
The IUPAC name of 2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine (CID 4962730) is 2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine.
What is the SMILES notation for 2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine?
The canonical SMILES for 2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine is COc1ccc(Cn2nccc2N)c(OC)c1OC.
What is the InChIKey of 2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine?
The InChIKey is VPXMFSXEMSCXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-17-10-5-4-9(12(18-2)13(10)19-3)8-16-11(14)6-7-15-16/h4-7H,8,14H2,1-3H3.
What are the key properties of 2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine?
2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine has a molecular weight of 263.30 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,4-trimethoxyphenyl)methyl]pyrazol-3-amine is sourced from PubChem (CID 4962730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).