3-amino-5-[3-[3-hydroxypropyl(methyl)amino]propyl]-1H-pyrazole-4-carbonitrile

C11H19N5O — CID 110881537

IUPAC3-amino-5-[3-[3-hydroxypropyl(methyl)amino]propyl]-1H-pyrazole-4-carbonitrile
SMILESCN(CCCO)CCCc1[nH]nc(N)c1C#N
InChIInChI=1S/C11H19N5O/c1-16(6-3-7-17)5-2-4-10-9(8-12)11(13)15-14-10/h17H,2-7H2,1H3,(H3,13,14,15)
InChIKeyYFWIEVWUTKZUTO-UHFFFAOYSA-N
MW237.31 g/mol
LogP0.11
Rot. Bonds7

About 3-amino-5-[3-[3-hydroxypropyl(methyl)amino]propyl]-1H-pyrazole-4-carbonitrile

3-amino-5-[3-[3-hydroxypropyl(methyl)amino]propyl]-1H-pyrazole-4-carbonitrile (PubChem CID 110881537) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-amino-5-[3-[3-hydroxypropyl(methyl)amino]propyl]-1H-pyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-amino-5-[3-[3-hydroxypropyl(methyl)amino]propyl]-1H-pyrazole-4-carbonitrile
PubChem CID110881537
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-amino-5-[3-[3-hydroxypropyl(methyl)amino]propyl]-1H-pyrazole-4-carbonitrile
SMILESCN(CCCO)CCCc1[nH]nc(N)c1C#N
InChIInChI=1S/C11H19N5O/c1-16(6-3-7-17)5-2-4-10-9(8-12)11(13)15-14-10/h17H,2-7H2,1H3,(H3,13,14,15)
InChIKeyYFWIEVWUTKZUTO-UHFFFAOYSA-N
XLogP0.11
TPSA101.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 50.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[3-[3-hydroxypropyl(methyl)amino]propyl]-1H-pyrazole-4-carbonitrile?
The IUPAC name of 3-amino-5-[3-[3-hydroxypropyl(methyl)amino]propyl]-1H-pyrazole-4-carbonitrile (CID 110881537) is 3-amino-5-[3-[3-hydroxypropyl(methyl)amino]propyl]-1H-pyrazole-4-carbonitrile.
What is the SMILES notation for 3-amino-5-[3-[3-hydroxypropyl(methyl)amino]propyl]-1H-pyrazole-4-carbonitrile?
The canonical SMILES for 3-amino-5-[3-[3-hydroxypropyl(methyl)amino]propyl]-1H-pyrazole-4-carbonitrile is CN(CCCO)CCCc1[nH]nc(N)c1C#N.
What is the InChIKey of 3-amino-5-[3-[3-hydroxypropyl(methyl)amino]propyl]-1H-pyrazole-4-carbonitrile?
The InChIKey is YFWIEVWUTKZUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-16(6-3-7-17)5-2-4-10-9(8-12)11(13)15-14-10/h17H,2-7H2,1H3,(H3,13,14,15).
What are the key properties of 3-amino-5-[3-[3-hydroxypropyl(methyl)amino]propyl]-1H-pyrazole-4-carbonitrile?
3-amino-5-[3-[3-hydroxypropyl(methyl)amino]propyl]-1H-pyrazole-4-carbonitrile has a molecular weight of 237.31 g/mol, XLogP of 0.11, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[3-[3-hydroxypropyl(methyl)amino]propyl]-1H-pyrazole-4-carbonitrile is sourced from PubChem (CID 110881537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).