2-[5-(2-ethylpyrrolidin-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine

C14H26N4O — CID 114656434

IUPAC2-[5-(2-ethylpyrrolidin-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCC1(c2c(OC)cnn2CCN(C)C)CCCN1
InChIInChI=1S/C14H26N4O/c1-5-14(7-6-8-15-14)13-12(19-4)11-16-18(13)10-9-17(2)3/h11,15H,5-10H2,1-4H3
InChIKeyKRGSXVNKLRUOGH-UHFFFAOYSA-N
MW266.39 g/mol
LogP1.44
Rot. Bonds6

About 2-[5-(2-ethylpyrrolidin-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine

2-[5-(2-ethylpyrrolidin-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 114656434) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 2-[5-(2-ethylpyrrolidin-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-(2-ethylpyrrolidin-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID114656434
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name2-[5-(2-ethylpyrrolidin-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
SMILESCCC1(c2c(OC)cnn2CCN(C)C)CCCN1
InChIInChI=1S/C14H26N4O/c1-5-14(7-6-8-15-14)13-12(19-4)11-16-18(13)10-9-17(2)3/h11,15H,5-10H2,1-4H3
InChIKeyKRGSXVNKLRUOGH-UHFFFAOYSA-N
XLogP1.44
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxy-1-propylpyrazol-5-yl)-2-propylazepane
CID 114657357
2-[4-bromo-5-(2-propylpyrrolidin-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114656453
4-[1-[2-(dimethylamino)ethyl]-4-methoxypyrazol-5-yl]-1,2-dimethylpiperidin-4-ol
CID 114637385
2-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethylazepane
CID 114657340
2-[4-bromo-5-(2-methylazepan-2-yl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 114657327
4-(2-ethylpyrrolidin-2-yl)-1-methylpyrazole
CID 66466689
2-[5-(2-bromocyclohexyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114662602
2-(4-chloro-1-ethylpyrazol-5-yl)-2-ethylazepane
CID 114657333
1-[2-(dimethylamino)ethyl]-4-methoxypyrazole-5-carbaldehyde
CID 114640202
2-[5-(3-ethylpiperidin-4-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114663107
2-[5-(3-chloro-2-methylpropyl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114665514
5-(2-ethylpyrrolidin-2-yl)pyrimidine
CID 66466456

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2-ethylpyrrolidin-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-(2-ethylpyrrolidin-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine (CID 114656434) is 2-[5-(2-ethylpyrrolidin-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-(2-ethylpyrrolidin-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-(2-ethylpyrrolidin-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine is CCC1(c2c(OC)cnn2CCN(C)C)CCCN1.
What is the InChIKey of 2-[5-(2-ethylpyrrolidin-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is KRGSXVNKLRUOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-5-14(7-6-8-15-14)13-12(19-4)11-16-18(13)10-9-17(2)3/h11,15H,5-10H2,1-4H3.
What are the key properties of 2-[5-(2-ethylpyrrolidin-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-(2-ethylpyrrolidin-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 266.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2-ethylpyrrolidin-2-yl)-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 114656434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).