N-[1-[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine

C17H25N3 — CID 62731611

IUPACN-[1-[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnn(Cc2cc(C)ccc2C)c1
InChIInChI=1S/C17H25N3/c1-5-8-18-15(4)17-10-19-20(12-17)11-16-9-13(2)6-7-14(16)3/h6-7,9-10,12,15,18H,5,8,11H2,1-4H3
InChIKeyKWWPABCOZTYIPO-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.61
Rot. Bonds6

About N-[1-[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine

N-[1-[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine (PubChem CID 62731611) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[1-[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
PubChem CID62731611
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[1-[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
SMILESCCCNC(C)c1cnn(Cc2cc(C)ccc2C)c1
InChIInChI=1S/C17H25N3/c1-5-8-18-15(4)17-10-19-20(12-17)11-16-9-13(2)6-7-14(16)3/h6-7,9-10,12,15,18H,5,8,11H2,1-4H3
InChIKeyKWWPABCOZTYIPO-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[1-[(2,4,6-trimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62731250
N-[1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62729973
N-[1-[1-[(3-bromophenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62732148
2-(2,5-dimethylphenyl)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 115807276
[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methanol
CID 62729636
N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 62731248
N-[1-[1-(3,3-dimethylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 55109172
N-ethyl-1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]ethanamine
CID 62730873
N,N-dimethyl-3-[4-[1-(propylamino)ethyl]pyrazol-1-yl]propan-1-amine
CID 114265888
N-[(1-ethylpyrazol-4-yl)-(2-fluoro-5-methylphenyl)methyl]propan-1-amine
CID 115815758
N-[[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 62731772
1-[1-[(5-bromo-2-fluorophenyl)methyl]pyrazol-4-yl]-N-ethylethanamine
CID 62731055

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine (CID 62731611) is N-[1-[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine is CCCNC(C)c1cnn(Cc2cc(C)ccc2C)c1.
What is the InChIKey of N-[1-[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine?
The InChIKey is KWWPABCOZTYIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-8-18-15(4)17-10-19-20(12-17)11-16-9-13(2)6-7-14(16)3/h6-7,9-10,12,15,18H,5,8,11H2,1-4H3.
What are the key properties of N-[1-[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine?
N-[1-[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-[(2,5-dimethylphenyl)methyl]pyrazol-4-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62731611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).