N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-amine

C14H27N3 — CID 64707666

IUPACN-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-amine
SMILESCCNC(C)CC(C)n1nc(C)c(CC)c1C
InChIInChI=1S/C14H27N3/c1-7-14-12(5)16-17(13(14)6)11(4)9-10(3)15-8-2/h10-11,15H,7-9H2,1-6H3
InChIKeyQTUXNUNQUKHWFU-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.01
Rot. Bonds6

About N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-amine

N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-amine (PubChem CID 64707666) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-amine
PubChem CID64707666
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-amine
SMILESCCNC(C)CC(C)n1nc(C)c(CC)c1C
InChIInChI=1S/C14H27N3/c1-7-14-12(5)16-17(13(14)6)11(4)9-10(3)15-8-2/h10-11,15H,7-9H2,1-6H3
InChIKeyQTUXNUNQUKHWFU-UHFFFAOYSA-N
XLogP3.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-amine?
The IUPAC name of N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-amine (CID 64707666) is N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-amine.
What is the SMILES notation for N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-amine?
The canonical SMILES for N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-amine is CCNC(C)CC(C)n1nc(C)c(CC)c1C.
What is the InChIKey of N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-amine?
The InChIKey is QTUXNUNQUKHWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-7-14-12(5)16-17(13(14)6)11(4)9-10(3)15-8-2/h10-11,15H,7-9H2,1-6H3.
What are the key properties of N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-amine?
N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)pentan-2-amine is sourced from PubChem (CID 64707666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).