N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine

C14H27N3 — CID 105125446

IUPACN-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
SMILESCCCCC(NCCC)c1c(C)nn(C)c1C
InChIInChI=1S/C14H27N3/c1-6-8-9-13(15-10-7-2)14-11(3)16-17(5)12(14)4/h13,15H,6-10H2,1-5H3
InChIKeyKEGPPENZCNERLS-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.27
Rot. Bonds7

About N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine

N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine (PubChem CID 105125446) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine.

Molecular Properties

Compound NameN-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
PubChem CID105125446
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
SMILESCCCCC(NCCC)c1c(C)nn(C)c1C
InChIInChI=1S/C14H27N3/c1-6-8-9-13(15-10-7-2)14-11(3)16-17(5)12(14)4/h13,15H,6-10H2,1-5H3
InChIKeyKEGPPENZCNERLS-UHFFFAOYSA-N
XLogP3.27
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine
CID 105129458
3-(2-methylpyrazol-3-yl)-N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 103031013
N-propyl-3-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105147845
N-[2-(2,5-dimethylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105158598
N-ethyl-5,5,5-trifluoro-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 105174254
1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 115580072
N-[2,2-difluoro-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 80604939
N-[2-(2-bromophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105087534
N-[2-thiophen-3-yl-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105137535
N-[cyclopropyl-(1,3,5-trimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105157191
N-[2-(3-fluorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]propan-1-amine
CID 105095880
N-ethyl-3-methyl-1-(1,3,5-trimethylpyrazol-4-yl)hexan-1-amine
CID 105137835

Frequently Asked Questions

What is the IUPAC name of N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
The IUPAC name of N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine (CID 105125446) is N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine.
What is the SMILES notation for N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
The canonical SMILES for N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine is CCCCC(NCCC)c1c(C)nn(C)c1C.
What is the InChIKey of N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
The InChIKey is KEGPPENZCNERLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-8-9-13(15-10-7-2)14-11(3)16-17(5)12(14)4/h13,15H,6-10H2,1-5H3.
What are the key properties of N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine?
N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine is sourced from PubChem (CID 105125446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).