3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine

C14H27N3 — CID 113243338

IUPAC3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCc1cnn(C(C)C)c1
InChIInChI=1S/C14H27N3/c1-6-14(7-2,8-3)15-9-13-10-16-17(11-13)12(4)5/h10-12,15H,6-9H2,1-5H3
InChIKeySGPZMLBMLWFAEQ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.52
Rot. Bonds7

About 3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine

3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine (PubChem CID 113243338) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
PubChem CID113243338
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
SMILESCCC(CC)(CC)NCc1cnn(C(C)C)c1
InChIInChI=1S/C14H27N3/c1-6-14(7-2,8-3)15-9-13-10-16-17(11-13)12(4)5/h10-12,15H,6-9H2,1-5H3
InChIKeySGPZMLBMLWFAEQ-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine
CID 115630774
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 61270976
N-[(1-propan-2-ylpyrazol-4-yl)methyl]propan-1-amine
CID 61270975
4-(2,2-dimethylbutyl)-1-propan-2-ylpyrazole
CID 164784593
N-[(1-ethenylpyrazol-4-yl)methyl]-3-ethylpentan-3-amine
CID 106936949
1-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]cyclobutan-1-amine
CID 103724220
2-methyl-1-[(1-propan-2-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 115623040
N-[(1-propan-2-ylpyrazol-4-yl)methyl]butan-1-amine;hydrochloride
CID 126967036
4-methyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]hexan-2-amine
CID 113243466
N-[(1-ethylcyclopentyl)methyl]-1-(1-propan-2-ylpyrazol-4-yl)methanamine
CID 103766176
N-[(1-propan-2-ylpyrazol-4-yl)methyl]but-3-en-2-amine
CID 115691236
3-(chloromethyl)-N-[(1-methylpyrazol-4-yl)methyl]pentan-3-amine
CID 65029980

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine?
The IUPAC name of 3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine (CID 113243338) is 3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine is CCC(CC)(CC)NCc1cnn(C(C)C)c1.
What is the InChIKey of 3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine?
The InChIKey is SGPZMLBMLWFAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-6-14(7-2,8-3)15-9-13-10-16-17(11-13)12(4)5/h10-12,15H,6-9H2,1-5H3.
What are the key properties of 3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine?
3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine has a molecular weight of 237.39 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(1-propan-2-ylpyrazol-4-yl)methyl]pentan-3-amine is sourced from PubChem (CID 113243338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).