1-[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)pyrrolidin-3-yl]ethanol

C12H22N4O — CID 112624222

IUPAC1-[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)pyrrolidin-3-yl]ethanol
SMILESCCn1nc(C)c(N)c1N1CCC(C(C)O)C1
InChIInChI=1S/C12H22N4O/c1-4-16-12(11(13)8(2)14-16)15-6-5-10(7-15)9(3)17/h9-10,17H,4-7,13H2,1-3H3
InChIKeySVHFXLRPFKNFND-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.00
Rot. Bonds3

About 1-[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)pyrrolidin-3-yl]ethanol

1-[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)pyrrolidin-3-yl]ethanol (PubChem CID 112624222) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)pyrrolidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)pyrrolidin-3-yl]ethanol
PubChem CID112624222
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name1-[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)pyrrolidin-3-yl]ethanol
SMILESCCn1nc(C)c(N)c1N1CCC(C(C)O)C1
InChIInChI=1S/C12H22N4O/c1-4-16-12(11(13)8(2)14-16)15-6-5-10(7-15)9(3)17/h9-10,17H,4-7,13H2,1-3H3
InChIKeySVHFXLRPFKNFND-UHFFFAOYSA-N
XLogP1.00
TPSA67.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[3-[(4-Amino-1,3-dimethylpyrazol-5-yl)amino]propyl]imidazolidin-1-yl]ethanol
CID 59117823
1-[2-(3,4-Diamino-5-methylpyrazol-1-yl)ethyl]pyrrolidin-3-ol
CID 69435237
1-[4-(Aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-ol
CID 28965228
[1-[4-(Aminomethyl)-1,3-dimethylpyrazol-5-yl]piperidin-4-yl]methanol
CID 43133230
[1-[1,3-Dimethyl-4-(propylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol
CID 43281527
1-[4-[(Ethylamino)methyl]-1,3-dimethyl-1H-pyrazol-5-yl]-4-piperidinemethanol
CID 43281528
[1-[1,3-Dimethyl-4-(methylaminomethyl)pyrazol-5-yl]piperidin-4-yl]methanol
CID 43281529
1-(4-Amino-1,3-dimethylpyrazol-5-yl)piperidin-4-ol
CID 43553943
2-[1-(4-Amino-1,3-dimethylpyrazol-5-yl)piperidin-2-yl]ethanol
CID 43553955
[1-(4-Amino-1,3-dimethylpyrazol-5-yl)piperidin-4-yl]methanol
CID 43554217
3-[(4-Amino-1,3-dimethylpyrazol-5-yl)amino]propan-1-ol
CID 43554227
2-[(4-Amino-1,3-dimethylpyrazol-5-yl)-methylamino]ethanol
CID 43554229

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)pyrrolidin-3-yl]ethanol?
The IUPAC name of 1-[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)pyrrolidin-3-yl]ethanol (CID 112624222) is 1-[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)pyrrolidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)pyrrolidin-3-yl]ethanol?
The canonical SMILES for 1-[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)pyrrolidin-3-yl]ethanol is CCn1nc(C)c(N)c1N1CCC(C(C)O)C1.
What is the InChIKey of 1-[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)pyrrolidin-3-yl]ethanol?
The InChIKey is SVHFXLRPFKNFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-4-16-12(11(13)8(2)14-16)15-6-5-10(7-15)9(3)17/h9-10,17H,4-7,13H2,1-3H3.
What are the key properties of 1-[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)pyrrolidin-3-yl]ethanol?
1-[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)pyrrolidin-3-yl]ethanol has a molecular weight of 238.33 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-amino-1-ethyl-3-methylpyrazol-5-yl)pyrrolidin-3-yl]ethanol is sourced from PubChem (CID 112624222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).