2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane

C14H24ClN3O — CID 114657340

IUPAC2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane
SMILESCCC1(c2c(Cl)cnn2CCOC)CCCCCN1
InChIInChI=1S/C14H24ClN3O/c1-3-14(7-5-4-6-8-16-14)13-12(15)11-17-18(13)9-10-19-2/h11,16H,3-10H2,1-2H3
InChIKeyALSRDAFYDSBUNJ-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.95
Rot. Bonds5

About 2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane

2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane (PubChem CID 114657340) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane.

Molecular Properties

Compound Name2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane
PubChem CID114657340
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane
SMILESCCC1(c2c(Cl)cnn2CCOC)CCCCCN1
InChIInChI=1S/C14H24ClN3O/c1-3-14(7-5-4-6-8-16-14)13-12(15)11-17-18(13)9-10-19-2/h11,16H,3-10H2,1-2H3
InChIKeyALSRDAFYDSBUNJ-UHFFFAOYSA-N
XLogP2.95
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylazepane
CID 114657333
5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole
CID 114656492
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol
CID 114636731
2-(4-methoxy-1-propylpyrazol-5-yl)-2-propylazepane
CID 114657357
2-(4-chloro-1-propylpyrazol-5-yl)-2-cyclopropylazepane
CID 114657376
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-propan-2-ylazepane
CID 114657368
4-bromo-1-(2-methoxyethyl)-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole
CID 114656507
2-[5-(2-ethylpyrrolidin-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114656434
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(1-ethylcyclopentyl)methanamine
CID 105054611
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcyclohexan-1-ol
CID 114633115
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone
CID 114669197
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol
CID 114636297

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane?
The IUPAC name of 2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane (CID 114657340) is 2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane.
What is the SMILES notation for 2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane?
The canonical SMILES for 2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane is CCC1(c2c(Cl)cnn2CCOC)CCCCCN1.
What is the InChIKey of 2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane?
The InChIKey is ALSRDAFYDSBUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-3-14(7-5-4-6-8-16-14)13-12(15)11-17-18(13)9-10-19-2/h11,16H,3-10H2,1-2H3.
What are the key properties of 2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane?
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane has a molecular weight of 285.82 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane is sourced from PubChem (CID 114657340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).