1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine

C17H32ClN3 — CID 104996645

IUPAC1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine
SMILESCCCCCCCC(Cc1c(Cl)c(C)nn1C)NCCC
InChIInChI=1S/C17H32ClN3/c1-5-7-8-9-10-11-15(19-12-6-2)13-16-17(18)14(3)20-21(16)4/h15,19H,5-13H2,1-4H3
InChIKeyOVSGTNYBYSGACU-UHFFFAOYSA-N
MW313.92 g/mol
LogP4.65
Rot. Bonds11

About 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine

1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine (PubChem CID 104996645) has the molecular formula C17H32ClN3 and a molecular weight of 313.92 g/mol. Its IUPAC name is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine.

Molecular Properties

Compound Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine
PubChem CID104996645
Molecular FormulaC17H32ClN3
Molecular Weight313.92 g/mol
Exact Mass313.23
IUPAC Name1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine
SMILESCCCCCCCC(Cc1c(Cl)c(C)nn1C)NCCC
InChIInChI=1S/C17H32ClN3/c1-5-7-8-9-10-11-15(19-12-6-2)13-16-17(18)14(3)20-21(16)4/h15,19H,5-13H2,1-4H3
InChIKeyOVSGTNYBYSGACU-UHFFFAOYSA-N
XLogP4.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.92
LogP ≤ 54.65
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

4-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-N,1-N-dimethyl-3-N-propylbutane-1,3-diamine
CID 115346698
1-(4-chloro-1,3-dimethylpyrazol-5-yl)octan-2-amine
CID 104996704
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-2-amine
CID 105124668
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-N-propylhexan-2-amine
CID 104996853
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethyloctan-2-amine
CID 105000232
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propyl-3-(thian-4-yl)propan-2-amine
CID 105158775
1-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-propyloctan-2-amine
CID 104998184
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-4-propoxybutan-2-amine
CID 105158790
[5-chloro-1-(4-chloro-1,3-dimethylpyrazol-5-yl)pentan-2-yl]hydrazine
CID 105235793
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)nonan-3-amine
CID 105126410
1-(4-chloro-3-ethyl-1-methylpyrazol-5-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79959281
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-methyl-3-methylsulfonyl-N-propylbutan-2-amine
CID 104996518

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine?
The IUPAC name of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine (CID 104996645) is 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine.
What is the SMILES notation for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine?
The canonical SMILES for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine is CCCCCCCC(Cc1c(Cl)c(C)nn1C)NCCC.
What is the InChIKey of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine?
The InChIKey is OVSGTNYBYSGACU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32ClN3/c1-5-7-8-9-10-11-15(19-12-6-2)13-16-17(18)14(3)20-21(16)4/h15,19H,5-13H2,1-4H3.
What are the key properties of 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine?
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine has a molecular weight of 313.92 g/mol, XLogP of 4.65, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-propylnonan-2-amine is sourced from PubChem (CID 104996645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).