3-[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol

C13H24N4O — CID 66016811

IUPAC3-[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCCc1nn(C)c(N2CCCC2CCCO)c1N
InChIInChI=1S/C13H24N4O/c1-3-11-12(14)13(16(2)15-11)17-8-4-6-10(17)7-5-9-18/h10,18H,3-9,14H2,1-2H3
InChIKeyPTKOGIMNLRZYGO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.31
Rot. Bonds5

About 3-[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol

3-[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol (PubChem CID 66016811) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol
PubChem CID66016811
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol
SMILESCCc1nn(C)c(N2CCCC2CCCO)c1N
InChIInChI=1S/C13H24N4O/c1-3-11-12(14)13(16(2)15-11)17-8-4-6-10(17)7-5-9-18/h10,18H,3-9,14H2,1-2H3
InChIKeyPTKOGIMNLRZYGO-UHFFFAOYSA-N
XLogP1.31
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol
CID 66015848
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 66016774
2-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-2-yl]ethanol
CID 66016828
3-[1-(6-amino-2-ethylpyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80935418
5-(2,4-dimethylpiperazin-1-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 114086152
3-ethyl-1-methyl-5-(2-pyridin-3-ylpyrrolidin-1-yl)pyrazol-4-amine
CID 66016187
3-ethyl-1-methyl-5-(4-propylazepan-1-yl)pyrazol-4-amine
CID 66013850
3-[1-[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]pyrrolidin-2-yl]propan-1-ol
CID 62864713
1-(4-amino-1-methyl-3-propylpyrazol-5-yl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103194465
5-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-3-ethyl-1-methylpyrazol-4-amine
CID 113335507
1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056389
3-[1-(2,6-diaminopyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 80827064

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The IUPAC name of 3-[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol (CID 66016811) is 3-[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The canonical SMILES for 3-[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol is CCc1nn(C)c(N2CCCC2CCCO)c1N.
What is the InChIKey of 3-[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
The InChIKey is PTKOGIMNLRZYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-3-11-12(14)13(16(2)15-11)17-8-4-6-10(17)7-5-9-18/h10,18H,3-9,14H2,1-2H3.
What are the key properties of 3-[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol?
3-[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol has a molecular weight of 252.36 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)pyrrolidin-2-yl]propan-1-ol is sourced from PubChem (CID 66016811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).