2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine

C14H26N4 — CID 114557828

IUPAC2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine
SMILESCCCN1CCCCC(N)C1c1ccnn1CC
InChIInChI=1S/C14H26N4/c1-3-10-17-11-6-5-7-12(15)14(17)13-8-9-16-18(13)4-2/h8-9,12,14H,3-7,10-11,15H2,1-2H3
InChIKeyNNHSZNZKOVRVCO-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.17
Rot. Bonds4

About 2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine

2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine (PubChem CID 114557828) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine.

Molecular Properties

Compound Name2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine
PubChem CID114557828
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine
SMILESCCCN1CCCCC(N)C1c1ccnn1CC
InChIInChI=1S/C14H26N4/c1-3-10-17-11-6-5-7-12(15)14(17)13-8-9-16-18(13)4-2/h8-9,12,14H,3-7,10-11,15H2,1-2H3
InChIKeyNNHSZNZKOVRVCO-UHFFFAOYSA-N
XLogP2.17
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-propyl-2-(2-propylpyrazol-3-yl)azepan-3-amine
CID 114557827
6-amino-7-(2-ethylpyrazol-3-yl)-1-propylazepan-2-one
CID 114557788
1-tert-butyl-2-(2-ethylpyrazol-3-yl)pyrrolidin-3-amine
CID 114557822
2-(3,5-difluorophenyl)-1-propylazepan-3-amine
CID 106534377
N-[[2-(2-ethylpyrazol-3-yl)-1-methylazepan-3-yl]methyl]cyclopropanamine
CID 114557742
[1-cyclopropyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methanamine
CID 114557755
2-[4-(difluoromethyl)phenyl]-1-propylazepan-3-amine
CID 115525529
2-(2-ethylpyrazol-3-yl)cyclopropan-1-amine;dihydrochloride
CID 165453460
N-[[1-methyl-2-(2-propylpyrazol-3-yl)azepan-3-yl]methyl]propan-2-amine
CID 114557739
N-[[1-methyl-2-(2-propylpyrazol-3-yl)piperidin-3-yl]methyl]cyclopropanamine
CID 114557688
5-(2-chlorocyclohexyl)-1-ethylpyrazole
CID 63974718
(2S,3S)-1-propyl-2-pyridin-2-ylpyrrolidin-3-amine
CID 178196697

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine?
The IUPAC name of 2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine (CID 114557828) is 2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine.
What is the SMILES notation for 2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine?
The canonical SMILES for 2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine is CCCN1CCCCC(N)C1c1ccnn1CC.
What is the InChIKey of 2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine?
The InChIKey is NNHSZNZKOVRVCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-3-10-17-11-6-5-7-12(15)14(17)13-8-9-16-18(13)4-2/h8-9,12,14H,3-7,10-11,15H2,1-2H3.
What are the key properties of 2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine?
2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine has a molecular weight of 250.39 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylpyrazol-3-yl)-1-propylazepan-3-amine is sourced from PubChem (CID 114557828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).