N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1-propylpyrazol-4-yl)methanamine

C17H25N3O — CID 115807684

IUPACN-methyl-1-(3-propan-2-yloxyphenyl)-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)c2cccc(OC(C)C)c2)cn1
InChIInChI=1S/C17H25N3O/c1-5-9-20-12-15(11-19-20)17(18-4)14-7-6-8-16(10-14)21-13(2)3/h6-8,10-13,17-18H,5,9H2,1-4H3
InChIKeyCFGAIBXNZCTZIT-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.39
Rot. Bonds7

About N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1-propylpyrazol-4-yl)methanamine

N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1-propylpyrazol-4-yl)methanamine (PubChem CID 115807684) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound NameN-methyl-1-(3-propan-2-yloxyphenyl)-1-(1-propylpyrazol-4-yl)methanamine
PubChem CID115807684
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN-methyl-1-(3-propan-2-yloxyphenyl)-1-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(NC)c2cccc(OC(C)C)c2)cn1
InChIInChI=1S/C17H25N3O/c1-5-9-20-12-15(11-19-20)17(18-4)14-7-6-8-16(10-14)21-13(2)3/h6-8,10-13,17-18H,5,9H2,1-4H3
InChIKeyCFGAIBXNZCTZIT-UHFFFAOYSA-N
XLogP3.39
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-1-naphthalen-2-yl-1-(1-propylpyrazol-4-yl)methanamine
CID 62716593
N-methyl-1-[3-(1-propylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801740
1-(3-bromo-4-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115807987
1-(2,6-dimethyl-4-pyridinyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 107503527
1-(3,5-dibromophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 107973896
1-(3,5-dichlorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808123
1-(4-bromo-3-fluorophenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115807266
1-(3,5-dichlorophenyl)-N-methyl-1-(3-propan-2-yloxyphenyl)methanamine
CID 105019086
N-methyl-1-(3-propan-2-yloxyphenyl)-1-(4-propylthiadiazol-5-yl)methanamine
CID 105171286
1-(2,5-dimethoxyphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808111
1-(3-chloro-5-methylphenyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 115808288
N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1,2,5-thiadiazol-3-yl)methanamine
CID 105171299

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1-propylpyrazol-4-yl)methanamine (CID 115807684) is N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(C(NC)c2cccc(OC(C)C)c2)cn1.
What is the InChIKey of N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is CFGAIBXNZCTZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-5-9-20-12-15(11-19-20)17(18-4)14-7-6-8-16(10-14)21-13(2)3/h6-8,10-13,17-18H,5,9H2,1-4H3.
What are the key properties of N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1-propylpyrazol-4-yl)methanamine?
N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 287.41 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(3-propan-2-yloxyphenyl)-1-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 115807684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).