4-(1-propylpyrazol-4-yl)oxepan-4-amine

C12H21N3O — CID 65082026

IUPAC4-(1-propylpyrazol-4-yl)oxepan-4-amine
SMILESCCCn1cc(C2(N)CCCOCC2)cn1
InChIInChI=1S/C12H21N3O/c1-2-6-15-10-11(9-14-15)12(13)4-3-7-16-8-5-12/h9-10H,2-8,13H2,1H3
InChIKeyYIUAZGDFZJHTLA-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.65
Rot. Bonds3

About 4-(1-propylpyrazol-4-yl)oxepan-4-amine

4-(1-propylpyrazol-4-yl)oxepan-4-amine (PubChem CID 65082026) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(1-propylpyrazol-4-yl)oxepan-4-amine.

Molecular Properties

Compound Name4-(1-propylpyrazol-4-yl)oxepan-4-amine
PubChem CID65082026
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(1-propylpyrazol-4-yl)oxepan-4-amine
SMILESCCCn1cc(C2(N)CCCOCC2)cn1
InChIInChI=1S/C12H21N3O/c1-2-6-15-10-11(9-14-15)12(13)4-3-7-16-8-5-12/h9-10H,2-8,13H2,1H3
InChIKeyYIUAZGDFZJHTLA-UHFFFAOYSA-N
XLogP1.65
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-amine
CID 116538948
1-methyl-4-(1-propylpyrazol-4-yl)azepan-4-ol
CID 65075339
4-(2-tert-butylpyrrolidin-2-yl)-1-propylpyrazole
CID 66466975
1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine
CID 65086253
1-(1-prop-2-enylpyrazol-4-yl)cyclopropan-1-amine
CID 84764707
3-methyl-3-(1-propylpyrazol-4-yl)cyclopentan-1-one
CID 116538540
1-(1-ethylpyrazol-4-yl)-3,3-dimethylcyclopentan-1-amine
CID 80705361
1-(1-ethylpyrazol-4-yl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64754656
4-(1,9-dioxaspiro[5.5]undecan-4-yloxy)-1-propylpyrazole
CID 116805130
3-[[(1-propylpyrazol-4-yl)methylamino]methyl]oxolan-3-ol
CID 103848292
1-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]cyclopropan-1-amine
CID 176804108
(1-methoxycyclobutyl)-(1-propylpyrazol-4-yl)methanamine
CID 116714074

Frequently Asked Questions

What is the IUPAC name of 4-(1-propylpyrazol-4-yl)oxepan-4-amine?
The IUPAC name of 4-(1-propylpyrazol-4-yl)oxepan-4-amine (CID 65082026) is 4-(1-propylpyrazol-4-yl)oxepan-4-amine.
What is the SMILES notation for 4-(1-propylpyrazol-4-yl)oxepan-4-amine?
The canonical SMILES for 4-(1-propylpyrazol-4-yl)oxepan-4-amine is CCCn1cc(C2(N)CCCOCC2)cn1.
What is the InChIKey of 4-(1-propylpyrazol-4-yl)oxepan-4-amine?
The InChIKey is YIUAZGDFZJHTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-6-15-10-11(9-14-15)12(13)4-3-7-16-8-5-12/h9-10H,2-8,13H2,1H3.
What are the key properties of 4-(1-propylpyrazol-4-yl)oxepan-4-amine?
4-(1-propylpyrazol-4-yl)oxepan-4-amine has a molecular weight of 223.32 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-propylpyrazol-4-yl)oxepan-4-amine is sourced from PubChem (CID 65082026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).