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

C10H16N6O — CID 102795311

IUPAC5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCC(N)C2)nn(CCO)c1N
InChIInChI=1S/C10H16N6O/c11-5-8-9(13)16(3-4-17)14-10(8)15-2-1-7(12)6-15/h7,17H,1-4,6,12-13H2
InChIKeyRRHOVTBVINTVHR-UHFFFAOYSA-N
MW236.28 g/mol
LogP-1.13
Rot. Bonds3

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

5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile (PubChem CID 102795311) has the molecular formula C10H16N6O and a molecular weight of 236.28 g/mol. Its IUPAC name is 5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
PubChem CID102795311
Molecular FormulaC10H16N6O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(N2CCC(N)C2)nn(CCO)c1N
InChIInChI=1S/C10H16N6O/c11-5-8-9(13)16(3-4-17)14-10(8)15-2-1-7(12)6-15/h7,17H,1-4,6,12-13H2
InChIKeyRRHOVTBVINTVHR-UHFFFAOYSA-N
XLogP-1.13
TPSA117.12 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-1.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

5-amino-1-(2-hydroxyethyl)-3-[3-(hydroxymethyl)piperidin-1-yl]pyrazole-4-carbonitrile
CID 102795329
5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
CID 102796652
5-amino-1-(2-hydroxyethyl)-3-piperazin-1-ylpyrazole-4-carbonitrile
CID 102795336
2-[5-amino-3-(3-aminopiperidin-1-yl)-4-cyanopyrazol-1-yl]acetic acid
CID 102796625
5-amino-3-(4-aminopiperidin-1-yl)-1-(2-methylpropyl)pyrazole-4-carbonitrile
CID 102795684
5-amino-3-(3-aminopyrrolidin-1-yl)-1-(4-bromophenyl)pyrazole-4-carbonitrile
CID 102796328
5-amino-3-(3-hydroxypiperidin-1-yl)-1-(2-methylsulfonylethyl)pyrazole-4-carbonitrile
CID 102796673
5-amino-1-[2-(dimethylamino)ethyl]-3-(4-methylpiperidin-1-yl)pyrazole-4-carbonitrile
CID 102796348
2-[5-amino-3-(3-aminopiperidin-1-yl)-4-methylsulfonylpyrazol-1-yl]ethanol
CID 102825444
5-amino-3-(3-aminopyrrolidin-1-yl)-1,2-oxazole-4-carbonitrile
CID 102795750
1-(5-amino-4-cyano-1-ethylpyrazol-3-yl)piperidine-3-carboxylic acid
CID 102795988
5-amino-3-(1,4-diazepan-1-yl)-1-(3-methylbutyl)pyrazole-4-carbonitrile
CID 102796236

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile (CID 102795311) is 5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is N#Cc1c(N2CCC(N)C2)nn(CCO)c1N.
What is the InChIKey of 5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
The InChIKey is RRHOVTBVINTVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O/c11-5-8-9(13)16(3-4-17)14-10(8)15-2-1-7(12)6-15/h7,17H,1-4,6,12-13H2.
What are the key properties of 5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile?
5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile has a molecular weight of 236.28 g/mol, XLogP of -1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-(3-aminopyrrolidin-1-yl)-1-(2-hydroxyethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 102795311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).