1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol

C13H24N4O2 — CID 112624415

IUPAC1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol
SMILESCc1nn(CC(O)CN2CCC(CO)C2)c(C)c1N
InChIInChI=1S/C13H24N4O2/c1-9-13(14)10(2)17(15-9)7-12(19)6-16-4-3-11(5-16)8-18/h11-12,18-19H,3-8,14H2,1-2H3
InChIKeyIGDIYYZYLCDHEI-UHFFFAOYSA-N
MW268.36 g/mol
LogP-0.24
Rot. Bonds5

About 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol

1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 112624415) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol
PubChem CID112624415
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol
SMILESCc1nn(CC(O)CN2CCC(CO)C2)c(C)c1N
InChIInChI=1S/C13H24N4O2/c1-9-13(14)10(2)17(15-9)7-12(19)6-16-4-3-11(5-16)8-18/h11-12,18-19H,3-8,14H2,1-2H3
InChIKeyIGDIYYZYLCDHEI-UHFFFAOYSA-N
XLogP-0.24
TPSA87.54 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(4-cyclopropylpiperazin-1-yl)propan-2-ol
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1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(1,3-dihydroisoindol-2-yl)propan-2-ol
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1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2-ethyl-5-methylpyrrolidin-1-yl)propan-2-ol
CID 83228217
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-(2,3,5-trimethylpiperidin-1-yl)propan-2-ol
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1-[3-(hydroxymethyl)pyrrolidin-1-yl]-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 111442666
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[cyclopropyl(2-methoxyethyl)amino]propan-2-ol
CID 63947465
1-[4-(hydroxymethyl)piperidin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 111105900
3-[3-(methoxymethyl)pyrrolidin-1-yl]propane-1,2-diol
CID 115773044
1-(4-aminopyrazol-1-yl)-3-[3-(2-hydroxyethyl)pyrrolidin-1-yl]propan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol (CID 112624415) is 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol is Cc1nn(CC(O)CN2CCC(CO)C2)c(C)c1N.
What is the InChIKey of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is IGDIYYZYLCDHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-9-13(14)10(2)17(15-9)7-12(19)6-16-4-3-11(5-16)8-18/h11-12,18-19H,3-8,14H2,1-2H3.
What are the key properties of 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol?
1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 268.36 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3,5-dimethylpyrazol-1-yl)-3-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 112624415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).