2-(1,5-dimethylpyrazol-4-yl)-2-(2-hydroxyethylamino)acetonitrile

C9H14N4O — CID 79583604

IUPAC2-(1,5-dimethylpyrazol-4-yl)-2-(2-hydroxyethylamino)acetonitrile
SMILESCc1c(C(C#N)NCCO)cnn1C
InChIInChI=1S/C9H14N4O/c1-7-8(6-12-13(7)2)9(5-10)11-3-4-14/h6,9,11,14H,3-4H2,1-2H3
InChIKeyOXSIEHWXZXALMZ-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.12
Rot. Bonds4

About 2-(1,5-dimethylpyrazol-4-yl)-2-(2-hydroxyethylamino)acetonitrile

2-(1,5-dimethylpyrazol-4-yl)-2-(2-hydroxyethylamino)acetonitrile (PubChem CID 79583604) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-(1,5-dimethylpyrazol-4-yl)-2-(2-hydroxyethylamino)acetonitrile.

Molecular Properties

Compound Name2-(1,5-dimethylpyrazol-4-yl)-2-(2-hydroxyethylamino)acetonitrile
PubChem CID79583604
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-(1,5-dimethylpyrazol-4-yl)-2-(2-hydroxyethylamino)acetonitrile
SMILESCc1c(C(C#N)NCCO)cnn1C
InChIInChI=1S/C9H14N4O/c1-7-8(6-12-13(7)2)9(5-10)11-3-4-14/h6,9,11,14H,3-4H2,1-2H3
InChIKeyOXSIEHWXZXALMZ-UHFFFAOYSA-N
XLogP-0.12
TPSA73.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,5-dimethylpyrazol-4-yl)-2-(ethylamino)acetonitrile
CID 79584724
2-(2-hydroxyethylamino)-2-(1-propylpyrazol-4-yl)acetonitrile
CID 103572099
2-(cycloheptylamino)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile
CID 79584630
3-(1,5-dimethylpyrazol-4-yl)-2,3-dihydroxypropanenitrile
CID 171871617
2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104822478
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-2-methylpropan-1-ol
CID 115970555
2-(azepan-1-yl)-2-(1,5-dimethylpyrazol-4-yl)acetonitrile
CID 79583925
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid
CID 155858515
(1S)-2-amino-1-(1,5-dimethylpyrazol-4-yl)ethanol
CID 96635093
2-(1,5-dimethylpyrazol-4-yl)-2-morpholin-4-ylacetonitrile
CID 79583834
4-amino-3-(1,5-dimethylpyrazol-4-yl)hexan-1-ol
CID 79595901
1-(1,5-dimethylpyrazol-4-yl)-N-propylprop-2-en-1-amine
CID 105161099

Frequently Asked Questions

What is the IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2-(2-hydroxyethylamino)acetonitrile?
The IUPAC name of 2-(1,5-dimethylpyrazol-4-yl)-2-(2-hydroxyethylamino)acetonitrile (CID 79583604) is 2-(1,5-dimethylpyrazol-4-yl)-2-(2-hydroxyethylamino)acetonitrile.
What is the SMILES notation for 2-(1,5-dimethylpyrazol-4-yl)-2-(2-hydroxyethylamino)acetonitrile?
The canonical SMILES for 2-(1,5-dimethylpyrazol-4-yl)-2-(2-hydroxyethylamino)acetonitrile is Cc1c(C(C#N)NCCO)cnn1C.
What is the InChIKey of 2-(1,5-dimethylpyrazol-4-yl)-2-(2-hydroxyethylamino)acetonitrile?
The InChIKey is OXSIEHWXZXALMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-7-8(6-12-13(7)2)9(5-10)11-3-4-14/h6,9,11,14H,3-4H2,1-2H3.
What are the key properties of 2-(1,5-dimethylpyrazol-4-yl)-2-(2-hydroxyethylamino)acetonitrile?
2-(1,5-dimethylpyrazol-4-yl)-2-(2-hydroxyethylamino)acetonitrile has a molecular weight of 194.24 g/mol, XLogP of -0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-dimethylpyrazol-4-yl)-2-(2-hydroxyethylamino)acetonitrile is sourced from PubChem (CID 79583604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).