N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine

C18H25N3 — CID 115706685

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc(C)n(CCCNC2CCCc3ccccc32)n1
InChIInChI=1S/C18H25N3/c1-14-13-15(2)21(20-14)12-6-11-19-18-10-5-8-16-7-3-4-9-17(16)18/h3-4,7,9,13,18-19H,5-6,8,10-12H2,1-2H3
InChIKeyNHFIUEYPUJQDPF-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.56
Rot. Bonds5

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine (PubChem CID 115706685) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
PubChem CID115706685
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine
SMILESCc1cc(C)n(CCCNC2CCCc3ccccc32)n1
InChIInChI=1S/C18H25N3/c1-14-13-15(2)21(20-14)12-6-11-19-18-10-5-8-16-7-3-4-9-17(16)18/h3-4,7,9,13,18-19H,5-6,8,10-12H2,1-2H3
InChIKeyNHFIUEYPUJQDPF-UHFFFAOYSA-N
XLogP3.56
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 ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-4-amine
CID 114536382
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536435
2-tert-butyl-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]cyclohexan-1-amine
CID 115572685
N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine
CID 43095798
N-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536426
N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 115717469
N'-(1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 60888348
6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol
CID 103922340
N-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride
CID 19773300
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]piperidin-3-amine
CID 114536325
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]spiro[4.5]decan-8-amine
CID 114817954
(1R)-N-[[(6S)-2-methyl-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-6-yl]methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 136737906

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine (CID 115706685) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine is Cc1cc(C)n(CCCNC2CCCc3ccccc32)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
The InChIKey is NHFIUEYPUJQDPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-14-13-15(2)21(20-14)12-6-11-19-18-10-5-8-16-7-3-4-9-17(16)18/h3-4,7,9,13,18-19H,5-6,8,10-12H2,1-2H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1,2,3,4-tetrahydronaphthalen-1-amine is sourced from PubChem (CID 115706685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).