2-(2-hydroxyethylamino)-2-(1-propylpyrazol-4-yl)acetonitrile

C10H16N4O — CID 103572099

IUPAC2-(2-hydroxyethylamino)-2-(1-propylpyrazol-4-yl)acetonitrile
SMILESCCCn1cc(C(C#N)NCCO)cn1
InChIInChI=1S/C10H16N4O/c1-2-4-14-8-9(7-13-14)10(6-11)12-3-5-15/h7-8,10,12,15H,2-5H2,1H3
InChIKeyKTZAKZWKFMGZPL-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.44
Rot. Bonds6

About 2-(2-hydroxyethylamino)-2-(1-propylpyrazol-4-yl)acetonitrile

2-(2-hydroxyethylamino)-2-(1-propylpyrazol-4-yl)acetonitrile (PubChem CID 103572099) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)-2-(1-propylpyrazol-4-yl)acetonitrile.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)-2-(1-propylpyrazol-4-yl)acetonitrile
PubChem CID103572099
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-(2-hydroxyethylamino)-2-(1-propylpyrazol-4-yl)acetonitrile
SMILESCCCn1cc(C(C#N)NCCO)cn1
InChIInChI=1S/C10H16N4O/c1-2-4-14-8-9(7-13-14)10(6-11)12-3-5-15/h7-8,10,12,15H,2-5H2,1H3
InChIKeyKTZAKZWKFMGZPL-UHFFFAOYSA-N
XLogP0.44
TPSA73.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-2-(1-methyl-1H-pyrazol-4-yl)ethan-1-ol
CID 61055424
1-[1-(2-methoxyethyl)-1H-pyrazol-4-yl]ethan-1-amine
CID 62729330
(2S)-3-[[1-(2-methoxyethyl)pyrazol-4-yl]methylamino]-2-methylpropanenitrile
CID 164632364
2-(4-Ethylpyrazol-1-yl)-3,3,3-trifluoropropan-1-ol
CID 68053241
(2S)-2-(4-tert-butylpyrazol-1-yl)-3-fluoropropan-1-ol
CID 176827724
N-ethyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]ethanamine
CID 55109027
2-(1-Methylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 61046760
N-methyl-1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]ethanamine
CID 62731050
N-[1-[1-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazol-4-yl]ethyl]propan-1-amine
CID 62731786
1-(1-ethylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63826592
1-(1-methylpyrazol-4-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
CID 63827133
N-methyl-1-[1-[2-(trifluoromethoxy)ethyl]pyrazol-4-yl]ethanamine
CID 65802897

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)-2-(1-propylpyrazol-4-yl)acetonitrile?
The IUPAC name of 2-(2-hydroxyethylamino)-2-(1-propylpyrazol-4-yl)acetonitrile (CID 103572099) is 2-(2-hydroxyethylamino)-2-(1-propylpyrazol-4-yl)acetonitrile.
What is the SMILES notation for 2-(2-hydroxyethylamino)-2-(1-propylpyrazol-4-yl)acetonitrile?
The canonical SMILES for 2-(2-hydroxyethylamino)-2-(1-propylpyrazol-4-yl)acetonitrile is CCCn1cc(C(C#N)NCCO)cn1.
What is the InChIKey of 2-(2-hydroxyethylamino)-2-(1-propylpyrazol-4-yl)acetonitrile?
The InChIKey is KTZAKZWKFMGZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-4-14-8-9(7-13-14)10(6-11)12-3-5-15/h7-8,10,12,15H,2-5H2,1H3.
What are the key properties of 2-(2-hydroxyethylamino)-2-(1-propylpyrazol-4-yl)acetonitrile?
2-(2-hydroxyethylamino)-2-(1-propylpyrazol-4-yl)acetonitrile has a molecular weight of 208.26 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)-2-(1-propylpyrazol-4-yl)acetonitrile is sourced from PubChem (CID 103572099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).