5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole

C14H24ClN3O — CID 114656492

IUPAC5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole
SMILESCOCCn1ncc(Cl)c1C1(C(C)(C)C)CCCN1
InChIInChI=1S/C14H24ClN3O/c1-13(2,3)14(6-5-7-16-14)12-11(15)10-17-18(12)8-9-19-4/h10,16H,5-9H2,1-4H3
InChIKeyPLTYTWCBEXYFEF-UHFFFAOYSA-N
MW285.82 g/mol
LogP2.81
Rot. Bonds4

About 5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole

5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole (PubChem CID 114656492) has the molecular formula C14H24ClN3O and a molecular weight of 285.82 g/mol. Its IUPAC name is 5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole.

Molecular Properties

Compound Name5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole
PubChem CID114656492
Molecular FormulaC14H24ClN3O
Molecular Weight285.82 g/mol
Exact Mass285.16
IUPAC Name5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole
SMILESCOCCn1ncc(Cl)c1C1(C(C)(C)C)CCCN1
InChIInChI=1S/C14H24ClN3O/c1-13(2,3)14(6-5-7-16-14)12-11(15)10-17-18(12)8-9-19-4/h10,16H,5-9H2,1-4H3
InChIKeyPLTYTWCBEXYFEF-UHFFFAOYSA-N
XLogP2.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane
CID 114657340
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclobutan-1-ol
CID 114636731
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcyclohexan-1-ol
CID 114633115
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-4-propylcycloheptan-1-ol
CID 114636297
3-amino-1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]cyclopentan-1-ol
CID 114637213
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(1-methylcyclopropyl)ethanol
CID 114637042
4-bromo-1-(2-methoxyethyl)-5-[2-(2-methylpropyl)pyrrolidin-2-yl]pyrazole
CID 114656507
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,3-dihydroinden-1-ol
CID 114633294
4-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1,2,3,6-tetrahydropyridine
CID 114663055
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone
CID 114669197
5-(2-tert-butylpyrrolidin-2-yl)-1-methyltriazole
CID 114688275
2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-propan-2-ylazepane
CID 114657368

Frequently Asked Questions

What is the IUPAC name of 5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole?
The IUPAC name of 5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole (CID 114656492) is 5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole.
What is the SMILES notation for 5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole?
The canonical SMILES for 5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole is COCCn1ncc(Cl)c1C1(C(C)(C)C)CCCN1.
What is the InChIKey of 5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole?
The InChIKey is PLTYTWCBEXYFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24ClN3O/c1-13(2,3)14(6-5-7-16-14)12-11(15)10-17-18(12)8-9-19-4/h10,16H,5-9H2,1-4H3.
What are the key properties of 5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole?
5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole has a molecular weight of 285.82 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-tert-butylpyrrolidin-2-yl)-4-chloro-1-(2-methoxyethyl)pyrazole is sourced from PubChem (CID 114656492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).