5-[(dimethylamino)methyl]-1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol

C13H24N4O2 — CID 66055235

IUPAC5-[(dimethylamino)methyl]-1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol
SMILESCc1nn(C)c(N2CC(O)CC2CN(C)C)c1CO
InChIInChI=1S/C13H24N4O2/c1-9-12(8-18)13(16(4)14-9)17-7-11(19)5-10(17)6-15(2)3/h10-11,18-19H,5-8H2,1-4H3
InChIKeyPKFKQIFDJFIQIW-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.28
Rot. Bonds4

About 5-[(dimethylamino)methyl]-1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol

5-[(dimethylamino)methyl]-1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol (PubChem CID 66055235) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 5-[(dimethylamino)methyl]-1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name5-[(dimethylamino)methyl]-1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol
PubChem CID66055235
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name5-[(dimethylamino)methyl]-1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol
SMILESCc1nn(C)c(N2CC(O)CC2CN(C)C)c1CO
InChIInChI=1S/C13H24N4O2/c1-9-12(8-18)13(16(4)14-9)17-7-11(19)5-10(17)6-15(2)3/h10-11,18-19H,5-8H2,1-4H3
InChIKeyPKFKQIFDJFIQIW-UHFFFAOYSA-N
XLogP-0.28
TPSA64.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(dimethylamino)methyl]-1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol?
The IUPAC name of 5-[(dimethylamino)methyl]-1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol (CID 66055235) is 5-[(dimethylamino)methyl]-1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol.
What is the SMILES notation for 5-[(dimethylamino)methyl]-1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol?
The canonical SMILES for 5-[(dimethylamino)methyl]-1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol is Cc1nn(C)c(N2CC(O)CC2CN(C)C)c1CO.
What is the InChIKey of 5-[(dimethylamino)methyl]-1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol?
The InChIKey is PKFKQIFDJFIQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-9-12(8-18)13(16(4)14-9)17-7-11(19)5-10(17)6-15(2)3/h10-11,18-19H,5-8H2,1-4H3.
What are the key properties of 5-[(dimethylamino)methyl]-1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol?
5-[(dimethylamino)methyl]-1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol has a molecular weight of 268.36 g/mol, XLogP of -0.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(dimethylamino)methyl]-1-[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]pyrrolidin-3-ol is sourced from PubChem (CID 66055235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).