N-[1-[2-(3-propan-2-ylpyrazol-1-yl)phenyl]ethyl]propan-1-amine

C17H25N3 — CID 62489000

IUPACN-[1-[2-(3-propan-2-ylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-n1ccc(C(C)C)n1
InChIInChI=1S/C17H25N3/c1-5-11-18-14(4)15-8-6-7-9-17(15)20-12-10-16(19-20)13(2)3/h6-10,12-14,18H,5,11H2,1-4H3
InChIKeyYYSNVLBVKOFRAL-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.06
Rot. Bonds6

About N-[1-[2-(3-propan-2-ylpyrazol-1-yl)phenyl]ethyl]propan-1-amine

N-[1-[2-(3-propan-2-ylpyrazol-1-yl)phenyl]ethyl]propan-1-amine (PubChem CID 62489000) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[1-[2-(3-propan-2-ylpyrazol-1-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[2-(3-propan-2-ylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
PubChem CID62489000
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[1-[2-(3-propan-2-ylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccccc1-n1ccc(C(C)C)n1
InChIInChI=1S/C17H25N3/c1-5-11-18-14(4)15-8-6-7-9-17(15)20-12-10-16(19-20)13(2)3/h6-10,12-14,18H,5,11H2,1-4H3
InChIKeyYYSNVLBVKOFRAL-UHFFFAOYSA-N
XLogP4.06
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 ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(2-imidazol-1-ylphenyl)ethyl]propan-1-amine
CID 43284758
N-[1-[2-(2,5-dimethylpyrrol-1-yl)phenyl]ethyl]propan-1-amine
CID 63409223
N-[[2-(3-propan-2-ylpyrazol-1-yl)phenyl]methyl]propan-2-amine
CID 62487799
N-[1-[2-(azepan-1-yl)phenyl]ethyl]propan-1-amine
CID 43284031
N-[1-(2-piperidin-1-ylphenyl)ethyl]propan-1-amine
CID 43284321
N-ethyl-1-(2-pyrazol-1-ylphenyl)ethanamine
CID 43284732
N-[1-[2-(4-ethyl-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61238667
N-[1-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 62129571
N-[1-[2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]ethyl]propan-1-amine
CID 106314747
N-[1-[2-(3,3-dimethoxyazetidin-1-yl)phenyl]ethyl]propan-1-amine
CID 79678785
3-[2-[1-(propylamino)ethyl]phenyl]-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 60792685
4,4-dimethyl-1,1-dioxo-2-[2-[1-(propylamino)ethyl]phenyl]thiazetidin-3-one
CID 79875083

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(3-propan-2-ylpyrazol-1-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[2-(3-propan-2-ylpyrazol-1-yl)phenyl]ethyl]propan-1-amine (CID 62489000) is N-[1-[2-(3-propan-2-ylpyrazol-1-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[2-(3-propan-2-ylpyrazol-1-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[2-(3-propan-2-ylpyrazol-1-yl)phenyl]ethyl]propan-1-amine is CCCNC(C)c1ccccc1-n1ccc(C(C)C)n1.
What is the InChIKey of N-[1-[2-(3-propan-2-ylpyrazol-1-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is YYSNVLBVKOFRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-11-18-14(4)15-8-6-7-9-17(15)20-12-10-16(19-20)13(2)3/h6-10,12-14,18H,5,11H2,1-4H3.
What are the key properties of N-[1-[2-(3-propan-2-ylpyrazol-1-yl)phenyl]ethyl]propan-1-amine?
N-[1-[2-(3-propan-2-ylpyrazol-1-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(3-propan-2-ylpyrazol-1-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 62489000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).