1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol

C13H25N5O — CID 66056389

IUPAC1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCCc1nn(C)c(N2CC(O)CC2CN(C)C)c1N
InChIInChI=1S/C13H25N5O/c1-5-11-12(14)13(17(4)15-11)18-8-10(19)6-9(18)7-16(2)3/h9-10,19H,5-8,14H2,1-4H3
InChIKeyQQJQBIWIIWCNHF-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.07
Rot. Bonds4

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

1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (PubChem CID 66056389) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
PubChem CID66056389
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC Name1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol
SMILESCCc1nn(C)c(N2CC(O)CC2CN(C)C)c1N
InChIInChI=1S/C13H25N5O/c1-5-11-12(14)13(17(4)15-11)18-8-10(19)6-9(18)7-16(2)3/h9-10,19H,5-8,14H2,1-4H3
InChIKeyQQJQBIWIIWCNHF-UHFFFAOYSA-N
XLogP0.07
TPSA70.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The IUPAC name of 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol (CID 66056389) is 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is CCc1nn(C)c(N2CC(O)CC2CN(C)C)c1N.
What is the InChIKey of 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
The InChIKey is QQJQBIWIIWCNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-5-11-12(14)13(17(4)15-11)18-8-10(19)6-9(18)7-16(2)3/h9-10,19H,5-8,14H2,1-4H3.
What are the key properties of 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol?
1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol has a molecular weight of 267.38 g/mol, XLogP of 0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-ethyl-1-methylpyrazol-5-yl)-5-[(dimethylamino)methyl]pyrrolidin-3-ol is sourced from PubChem (CID 66056389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).