N-[(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine

C18H25N3 — CID 103130978

IUPACN-[(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccn(C)n1)C1CCc2ccccc2C1
InChIInChI=1S/C18H25N3/c1-3-11-19-18(17-10-12-21(2)20-17)16-9-8-14-6-4-5-7-15(14)13-16/h4-7,10,12,16,18-19H,3,8-9,11,13H2,1-2H3
InChIKeyMQAQLZOYNDUCEQ-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.27
Rot. Bonds5

About N-[(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine

N-[(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine (PubChem CID 103130978) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
PubChem CID103130978
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
SMILESCCCNC(c1ccn(C)n1)C1CCc2ccccc2C1
InChIInChI=1S/C18H25N3/c1-3-11-19-18(17-10-12-21(2)20-17)16-9-8-14-6-4-5-7-15(14)13-16/h4-7,10,12,16,18-19H,3,8-9,11,13H2,1-2H3
InChIKeyMQAQLZOYNDUCEQ-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(1-methylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 103130976
[2,3-dihydro-1H-inden-2-yl-(1-methylpyrazol-3-yl)methyl]hydrazine
CID 103140273
N-[2,3-dihydro-1H-inden-1-yl-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103130973
N-[1a,2,3,7b-tetrahydro-1H-cyclopropa[a]naphthalen-1-yl-(1-methylpyrazol-3-yl)methyl]ethanamine
CID 103135539
N-[oxan-4-yl(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine
CID 65404987
N-[(1-methylpyrazol-3-yl)-(4-propylcyclohexyl)methyl]ethanamine
CID 103130946
3-methyl-N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hexan-1-amine
CID 65405568
N-methyl-1-(2-propylpyrazol-3-yl)-1-(1,2,3,4-tetrahydronaphthalen-2-yl)methanamine
CID 65405561
N-[(1-methylpyrazol-3-yl)-(thiolan-3-yl)methyl]ethanamine
CID 103135015
1-(1-methylpyrazol-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-3-ylmethyl)propan-1-amine
CID 138056852
N-[1-(2,3-dihydro-1H-inden-2-yl)-2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 79752776
N-propyl-1-(1,2,3,4-tetrahydronaphthalen-2-yl)hex-4-yn-1-amine
CID 104806170

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine (CID 103130978) is N-[(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine is CCCNC(c1ccn(C)n1)C1CCc2ccccc2C1.
What is the InChIKey of N-[(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine?
The InChIKey is MQAQLZOYNDUCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-3-11-19-18(17-10-12-21(2)20-17)16-9-8-14-6-4-5-7-15(14)13-16/h4-7,10,12,16,18-19H,3,8-9,11,13H2,1-2H3.
What are the key properties of N-[(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine?
N-[(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-3-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 103130978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).