1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-propylphenyl)methanamine

C17H25N3 — CID 102812318

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(NC)c2cn(C)nc2CC)cc1
InChIInChI=1S/C17H25N3/c1-5-7-13-8-10-14(11-9-13)17(18-3)15-12-20(4)19-16(15)6-2/h8-12,17-18H,5-7H2,1-4H3
InChIKeyQJVDTSSSLAOEST-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.24
Rot. Bonds6

About 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-propylphenyl)methanamine

1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-propylphenyl)methanamine (PubChem CID 102812318) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-propylphenyl)methanamine.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-propylphenyl)methanamine
PubChem CID102812318
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-propylphenyl)methanamine
SMILESCCCc1ccc(C(NC)c2cn(C)nc2CC)cc1
InChIInChI=1S/C17H25N3/c1-5-7-13-8-10-14(11-9-13)17(18-3)15-12-20(4)19-16(15)6-2/h8-12,17-18H,5-7H2,1-4H3
InChIKeyQJVDTSSSLAOEST-UHFFFAOYSA-N
XLogP3.24
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-ethoxyphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylmethanamine
CID 102812258
1-(3-ethyl-1-methylpyrazol-4-yl)-1-(3-fluorophenyl)-N-methylmethanamine
CID 102812002
N-[(3-ethyl-1-methylpyrazol-4-yl)-(3-ethylphenyl)methyl]ethanamine
CID 102812685
1-(3-ethyl-1-methylpyrazol-4-yl)-2,2,2-trifluoro-N-methylethanamine
CID 112671170
1-(3-chloro-4-pyridinyl)-N-methyl-1-(4-propylphenyl)methanamine
CID 105144427
N-[(3-ethyl-1-methylpyrazol-4-yl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 102812063
[(3-chloro-4-methylphenyl)-(3-ethyl-1-methylpyrazol-4-yl)methyl]hydrazine
CID 107562686
1-(3-ethyl-1-methylpyrazol-4-yl)-1-isoquinolin-4-yl-N-methylmethanamine
CID 102812364
N-[(3-ethyl-1-methylpyrazol-4-yl)-(2-methylphenyl)methyl]ethanamine
CID 102812013
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)methanamine
CID 115990371
N-[(3-ethyl-1-methylpyrazol-4-yl)-(4-fluoro-3-methylphenyl)methyl]propan-1-amine
CID 102812296
2-(3,4-difluorophenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812752

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-propylphenyl)methanamine?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-propylphenyl)methanamine (CID 102812318) is 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-propylphenyl)methanamine.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-propylphenyl)methanamine?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-propylphenyl)methanamine is CCCc1ccc(C(NC)c2cn(C)nc2CC)cc1.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-propylphenyl)methanamine?
The InChIKey is QJVDTSSSLAOEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-7-13-8-10-14(11-9-13)17(18-3)15-12-20(4)19-16(15)6-2/h8-12,17-18H,5-7H2,1-4H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-propylphenyl)methanamine?
1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-propylphenyl)methanamine has a molecular weight of 271.41 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-N-methyl-1-(4-propylphenyl)methanamine is sourced from PubChem (CID 102812318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).