5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile

C9H15N5O — CID 102795333

IUPAC5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile
SMILESCCCNc1nn(CCO)c(N)c1C#N
InChIInChI=1S/C9H15N5O/c1-2-3-12-9-7(6-10)8(11)14(13-9)4-5-15/h15H,2-5,11H2,1H3,(H,12,13)
InChIKeyRCXFNVNOMVSUQR-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.15
Rot. Bonds5

About 5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile

5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile (PubChem CID 102795333) has the molecular formula C9H15N5O and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile
PubChem CID102795333
Molecular FormulaC9H15N5O
Molecular Weight209.25 g/mol
Exact Mass209.13
IUPAC Name5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile
SMILESCCCNc1nn(CCO)c(N)c1C#N
InChIInChI=1S/C9H15N5O/c1-2-3-12-9-7(6-10)8(11)14(13-9)4-5-15/h15H,2-5,11H2,1H3,(H,12,13)
InChIKeyRCXFNVNOMVSUQR-UHFFFAOYSA-N
XLogP0.15
TPSA99.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-1-propyl-3-(propylamino)pyrazole-4-carbonitrile
CID 102796033
5-amino-3-(butylamino)-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
CID 102796672
5-amino-1-pentan-3-yl-3-(propylamino)pyrazole-4-carbonitrile
CID 102796194
5-amino-1-[(4-bromophenyl)methyl]-3-(propylamino)pyrazole-4-carbonitrile
CID 102796555
5-amino-1-ethyl-3-(methylamino)pyrazole-4-carbonitrile
CID 102795991
5-amino-1-(2-cyanoethyl)-3-(methylamino)pyrazole-4-carbonitrile
CID 102795727
5-amino-3-[(4-hydroxycyclohexyl)amino]-1-propylpyrazole-4-carbonitrile
CID 102796021
5-amino-3-(propylamino)-1-(3,4,5-trifluorophenyl)pyrazole-4-carbonitrile
CID 102796744
5-amino-1-(3,4-dichlorophenyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795388
5-amino-1-(2,5-dimethylphenyl)-3-(propylamino)pyrazole-4-carbonitrile
CID 102795681
5-amino-1-(2-methylsulfonylethyl)-3-(2,2,2-trifluoroethylamino)pyrazole-4-carbonitrile
CID 102796662
3-[5-amino-4-methylsulfonyl-3-(propylamino)pyrazol-1-yl]propanenitrile
CID 102825730

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile (CID 102795333) is 5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile is CCCNc1nn(CCO)c(N)c1C#N.
What is the InChIKey of 5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile?
The InChIKey is RCXFNVNOMVSUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O/c1-2-3-12-9-7(6-10)8(11)14(13-9)4-5-15/h15H,2-5,11H2,1H3,(H,12,13).
What are the key properties of 5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile?
5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile has a molecular weight of 209.25 g/mol, XLogP of 0.15, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2-hydroxyethyl)-3-(propylamino)pyrazole-4-carbonitrile is sourced from PubChem (CID 102795333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).