1-butyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazol-3-amine

C17H25N3O2 — CID 19625980

IUPAC1-butyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazol-3-amine
SMILESCCCCn1nc(NCc2cc(OC)cc(OC)c2)cc1C
InChIInChI=1S/C17H25N3O2/c1-5-6-7-20-13(2)8-17(19-20)18-12-14-9-15(21-3)11-16(10-14)22-4/h8-11H,5-7,12H2,1-4H3,(H,18,19)
InChIKeyBOFNHHMIDVVIJD-UHFFFAOYSA-N
MW303.41 g/mol
LogP3.62
Rot. Bonds8

About 1-butyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazol-3-amine

1-butyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazol-3-amine (PubChem CID 19625980) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 1-butyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name1-butyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazol-3-amine
PubChem CID19625980
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name1-butyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazol-3-amine
SMILESCCCCn1nc(NCc2cc(OC)cc(OC)c2)cc1C
InChIInChI=1S/C17H25N3O2/c1-5-6-7-20-13(2)8-17(19-20)18-12-14-9-15(21-3)11-16(10-14)22-4/h8-11H,5-7,12H2,1-4H3,(H,18,19)
InChIKeyBOFNHHMIDVVIJD-UHFFFAOYSA-N
XLogP3.62
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazol-3-amine?
The IUPAC name of 1-butyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazol-3-amine (CID 19625980) is 1-butyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazol-3-amine.
What is the SMILES notation for 1-butyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazol-3-amine?
The canonical SMILES for 1-butyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazol-3-amine is CCCCn1nc(NCc2cc(OC)cc(OC)c2)cc1C.
What is the InChIKey of 1-butyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazol-3-amine?
The InChIKey is BOFNHHMIDVVIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-5-6-7-20-13(2)8-17(19-20)18-12-14-9-15(21-3)11-16(10-14)22-4/h8-11H,5-7,12H2,1-4H3,(H,18,19).
What are the key properties of 1-butyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazol-3-amine?
1-butyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazol-3-amine has a molecular weight of 303.41 g/mol, XLogP of 3.62, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-N-[(3,5-dimethoxyphenyl)methyl]-5-methylpyrazol-3-amine is sourced from PubChem (CID 19625980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).