1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine

C10H19N3 — CID 102803171

IUPAC1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine
SMILESCCCCC(N)c1cn(C)nc1C
InChIInChI=1S/C10H19N3/c1-4-5-6-10(11)9-7-13(3)12-8(9)2/h7,10H,4-6,11H2,1-3H3
InChIKeyWBHXGNGYVCWUBI-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.92
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine

1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine (PubChem CID 102803171) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine
PubChem CID102803171
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine
SMILESCCCCC(N)c1cn(C)nc1C
InChIInChI=1S/C10H19N3/c1-4-5-6-10(11)9-7-13(3)12-8(9)2/h7,10H,4-6,11H2,1-3H3
InChIKeyWBHXGNGYVCWUBI-UHFFFAOYSA-N
XLogP1.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83091814
2-(2,6-dimethylphenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102804306
ethyl (3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83089708
ethyl 3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoate
CID 83089787
1-(1,3-dimethylpyrazol-4-yl)decylhydrazine
CID 102804828
(3R)-3-amino-3-(1,3-dimethylpyrazol-4-yl)propanoic acid
CID 83089212
1-(1,3-dimethylpyrazol-4-yl)butan-1-ol
CID 83090747
2-(2,5-difluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803075
2-(2,6-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803154
2-(2,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803231
1-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-1,2,4-triazol-3-yl)ethanamine
CID 102803970
2-(3-chloro-4-fluorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 103042987

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine (CID 102803171) is 1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine is CCCCC(N)c1cn(C)nc1C.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine?
The InChIKey is WBHXGNGYVCWUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-5-6-10(11)9-7-13(3)12-8(9)2/h7,10H,4-6,11H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine?
1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)pentan-1-amine is sourced from PubChem (CID 102803171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).