N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine

C12H23N3 — CID 62126755

IUPACN-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine
SMILESCCNC(CC)CCc1cnn(CC)c1
InChIInChI=1S/C12H23N3/c1-4-12(13-5-2)8-7-11-9-14-15(6-3)10-11/h9-10,12-13H,4-8H2,1-3H3
InChIKeyOBKSFXNZJVFGHC-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.22
Rot. Bonds7

About N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine

N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine (PubChem CID 62126755) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine
PubChem CID62126755
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine
SMILESCCNC(CC)CCc1cnn(CC)c1
InChIInChI=1S/C12H23N3/c1-4-12(13-5-2)8-7-11-9-14-15(6-3)10-11/h9-10,12-13H,4-8H2,1-3H3
InChIKeyOBKSFXNZJVFGHC-UHFFFAOYSA-N
XLogP2.22
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1-ethylpyrazol-4-yl)-4-methylsulfanylbutan-2-amine
CID 105114746
N-ethyl-1-(1-ethylpyrazol-4-yl)-5-methoxyhexan-2-amine
CID 105114560
6-(1-ethylpyrazol-4-yl)hexan-3-ol
CID 64514398
2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine
CID 103011226
1,4-diethylpyrazole;ethane
CID 143641951
N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine
CID 62126621
N-ethyl-1-pyridin-4-ylpentan-3-amine
CID 105078896
N-ethyl-1-(1-methylpyrazol-4-yl)hex-5-en-3-amine
CID 103012216
1-cyclopropyl-N-ethyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 103011602
1-(3-bromophenyl)-N-ethyl-3-(1-ethylpyrazol-4-yl)propan-2-amine
CID 62126268
1-N,1-N,3-N-triethyl-5-(1-methylpyrazol-4-yl)pentane-1,3-diamine
CID 103011204
N-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyridin-4-ylpropan-1-amine
CID 105109175

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine?
The IUPAC name of N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine (CID 62126755) is N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine.
What is the SMILES notation for N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine?
The canonical SMILES for N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine is CCNC(CC)CCc1cnn(CC)c1.
What is the InChIKey of N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine?
The InChIKey is OBKSFXNZJVFGHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-12(13-5-2)8-7-11-9-14-15(6-3)10-11/h9-10,12-13H,4-8H2,1-3H3.
What are the key properties of N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine?
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine has a molecular weight of 209.34 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine is sourced from PubChem (CID 62126755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).