2-(4-methoxy-1-propylpyrazol-5-yl)-2-propylazepane

C16H29N3O — CID 114657357

IUPAC2-(4-methoxy-1-propylpyrazol-5-yl)-2-propylazepane
SMILESCCCn1ncc(OC)c1C1(CCC)CCCCCN1
InChIInChI=1S/C16H29N3O/c1-4-9-16(10-7-6-8-11-17-16)15-14(20-3)13-18-19(15)12-5-2/h13,17H,4-12H2,1-3H3
InChIKeyRGXQWIFKNGTCBD-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.46
Rot. Bonds6

About 2-(4-methoxy-1-propylpyrazol-5-yl)-2-propylazepane

2-(4-methoxy-1-propylpyrazol-5-yl)-2-propylazepane (PubChem CID 114657357) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-(4-methoxy-1-propylpyrazol-5-yl)-2-propylazepane.

Molecular Properties

Compound Name2-(4-methoxy-1-propylpyrazol-5-yl)-2-propylazepane
PubChem CID114657357
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-(4-methoxy-1-propylpyrazol-5-yl)-2-propylazepane
SMILESCCCn1ncc(OC)c1C1(CCC)CCCCCN1
InChIInChI=1S/C16H29N3O/c1-4-9-16(10-7-6-8-11-17-16)15-14(20-3)13-18-19(15)12-5-2/h13,17H,4-12H2,1-3H3
InChIKeyRGXQWIFKNGTCBD-UHFFFAOYSA-N
XLogP3.46
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2-ethylpyrrolidin-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114656434
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane
CID 114657340
2-[4-bromo-5-(2-propylpyrrolidin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114656453
2-(3-methyltriazol-4-yl)-2-propylazepane
CID 114688469
1-propyl-5-(2-propylpyrrolidin-2-yl)pyrazole
CID 66467395
(4-methoxy-1-propylpyrazol-5-yl)-(1-methylcyclohexyl)methanone
CID 106829733
2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane
CID 114657376
2-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylazepane
CID 114657333
2-(2-ethylpyrazol-3-yl)-2-propylazepane
CID 79118018
(3-ethylpyrrolidin-3-yl)-(4-methoxy-1-propylpyrazol-5-yl)methanone
CID 114669216
2-(2-fluoro-4-methoxyphenyl)-2-propylazepane
CID 103395692
2-phenyl-2-propylazepane
CID 79117631

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxy-1-propylpyrazol-5-yl)-2-propylazepane?
The IUPAC name of 2-(4-methoxy-1-propylpyrazol-5-yl)-2-propylazepane (CID 114657357) is 2-(4-methoxy-1-propylpyrazol-5-yl)-2-propylazepane.
What is the SMILES notation for 2-(4-methoxy-1-propylpyrazol-5-yl)-2-propylazepane?
The canonical SMILES for 2-(4-methoxy-1-propylpyrazol-5-yl)-2-propylazepane is CCCn1ncc(OC)c1C1(CCC)CCCCCN1.
What is the InChIKey of 2-(4-methoxy-1-propylpyrazol-5-yl)-2-propylazepane?
The InChIKey is RGXQWIFKNGTCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-9-16(10-7-6-8-11-17-16)15-14(20-3)13-18-19(15)12-5-2/h13,17H,4-12H2,1-3H3.
What are the key properties of 2-(4-methoxy-1-propylpyrazol-5-yl)-2-propylazepane?
2-(4-methoxy-1-propylpyrazol-5-yl)-2-propylazepane has a molecular weight of 279.43 g/mol, XLogP of 3.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxy-1-propylpyrazol-5-yl)-2-propylazepane is sourced from PubChem (CID 114657357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).