[4,5-dimethoxy-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methanamine

C16H23N3O2 — CID 66009735

IUPAC[4,5-dimethoxy-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methanamine
SMILESCCCc1nn(C)cc1-c1cc(OC)c(OC)cc1CN
InChIInChI=1S/C16H23N3O2/c1-5-6-14-13(10-19(2)18-14)12-8-16(21-4)15(20-3)7-11(12)9-17/h7-8,10H,5-6,9,17H2,1-4H3
InChIKeyNXBCLAKBJOFTPN-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.52
Rot. Bonds6

About [4,5-dimethoxy-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methanamine

[4,5-dimethoxy-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methanamine (PubChem CID 66009735) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is [4,5-dimethoxy-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4,5-dimethoxy-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methanamine
PubChem CID66009735
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name[4,5-dimethoxy-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methanamine
SMILESCCCc1nn(C)cc1-c1cc(OC)c(OC)cc1CN
InChIInChI=1S/C16H23N3O2/c1-5-6-14-13(10-19(2)18-14)12-8-16(21-4)15(20-3)7-11(12)9-17/h7-8,10H,5-6,9,17H2,1-4H3
InChIKeyNXBCLAKBJOFTPN-UHFFFAOYSA-N
XLogP2.52
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4,5-dimethoxy-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methanamine?
The IUPAC name of [4,5-dimethoxy-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methanamine (CID 66009735) is [4,5-dimethoxy-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methanamine.
What is the SMILES notation for [4,5-dimethoxy-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methanamine?
The canonical SMILES for [4,5-dimethoxy-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methanamine is CCCc1nn(C)cc1-c1cc(OC)c(OC)cc1CN.
What is the InChIKey of [4,5-dimethoxy-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methanamine?
The InChIKey is NXBCLAKBJOFTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-5-6-14-13(10-19(2)18-14)12-8-16(21-4)15(20-3)7-11(12)9-17/h7-8,10H,5-6,9,17H2,1-4H3.
What are the key properties of [4,5-dimethoxy-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methanamine?
[4,5-dimethoxy-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methanamine has a molecular weight of 289.38 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-dimethoxy-2-(1-methyl-3-propylpyrazol-4-yl)phenyl]methanamine is sourced from PubChem (CID 66009735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).