(3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine

C16H23N3O — CID 105048688

IUPAC(3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(OC)c1C(N)c1cc(C)cc(C)c1
InChIInChI=1S/C16H23N3O/c1-5-6-19-16(14(20-4)10-18-19)15(17)13-8-11(2)7-12(3)9-13/h7-10,15H,5-6,17H2,1-4H3
InChIKeyGIAWLKYZPVQZFQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.97
Rot. Bonds5

About (3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine

(3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine (PubChem CID 105048688) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
PubChem CID105048688
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name(3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
SMILESCCCn1ncc(OC)c1C(N)c1cc(C)cc(C)c1
InChIInChI=1S/C16H23N3O/c1-5-6-19-16(14(20-4)10-18-19)15(17)13-8-11(2)7-12(3)9-13/h7-10,15H,5-6,17H2,1-4H3
InChIKeyGIAWLKYZPVQZFQ-UHFFFAOYSA-N
XLogP2.97
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-fluoro-5-methylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114659181
(4-methoxy-1-propylpyrazol-5-yl)-(5-methyl-3-pyridinyl)methanamine
CID 105187163
(1-ethyl-4-methoxypyrazol-5-yl)-(3-fluoro-5-methylphenyl)methanamine
CID 114659168
(5-bromo-3-pyridinyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114658293
(4,5-dimethylthiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048908
(4-bromo-3-chlorophenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048875
(4-methoxy-1-propylpyrazol-5-yl)-(5-methylpyrazin-2-yl)methanamine
CID 105187158
(4,5-dibromothiophen-2-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 105048739
(4-methoxy-1-propylpyrazol-5-yl)-(4-methyl-3-pyridinyl)methanamine
CID 114877837
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
(3-bromo-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 105047093
(2-ethoxyphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine
CID 114659698

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The IUPAC name of (3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine (CID 105048688) is (3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine.
What is the SMILES notation for (3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The canonical SMILES for (3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine is CCCn1ncc(OC)c1C(N)c1cc(C)cc(C)c1.
What is the InChIKey of (3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
The InChIKey is GIAWLKYZPVQZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-5-6-19-16(14(20-4)10-18-19)15(17)13-8-11(2)7-12(3)9-13/h7-10,15H,5-6,17H2,1-4H3.
What are the key properties of (3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine?
(3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine has a molecular weight of 273.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-(4-methoxy-1-propylpyrazol-5-yl)methanamine is sourced from PubChem (CID 105048688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).