2-amino-6-tert-butyl-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carbonitrile

C17H23N5O — CID 56861912

IUPAC2-amino-6-tert-butyl-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carbonitrile
SMILESCc1nn(CCO)c(C)c1-c1cc(C(C)(C)C)nc(N)c1C#N
InChIInChI=1S/C17H23N5O/c1-10-15(11(2)22(21-10)6-7-23)12-8-14(17(3,4)5)20-16(19)13(12)9-18/h8,23H,6-7H2,1-5H3,(H2,19,20)
InChIKeyJBHUUHZEAUXLAF-UHFFFAOYSA-N
MW313.41 g/mol
LogP2.31
Rot. Bonds3

About 2-amino-6-tert-butyl-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carbonitrile

2-amino-6-tert-butyl-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carbonitrile (PubChem CID 56861912) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 2-amino-6-tert-butyl-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-tert-butyl-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carbonitrile
PubChem CID56861912
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name2-amino-6-tert-butyl-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carbonitrile
SMILESCc1nn(CCO)c(C)c1-c1cc(C(C)(C)C)nc(N)c1C#N
InChIInChI=1S/C17H23N5O/c1-10-15(11(2)22(21-10)6-7-23)12-8-14(17(3,4)5)20-16(19)13(12)9-18/h8,23H,6-7H2,1-5H3,(H2,19,20)
InChIKeyJBHUUHZEAUXLAF-UHFFFAOYSA-N
XLogP2.31
TPSA100.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-tert-butyl-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-amino-6-tert-butyl-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carbonitrile (CID 56861912) is 2-amino-6-tert-butyl-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-6-tert-butyl-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-amino-6-tert-butyl-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carbonitrile is Cc1nn(CCO)c(C)c1-c1cc(C(C)(C)C)nc(N)c1C#N.
What is the InChIKey of 2-amino-6-tert-butyl-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carbonitrile?
The InChIKey is JBHUUHZEAUXLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-10-15(11(2)22(21-10)6-7-23)12-8-14(17(3,4)5)20-16(19)13(12)9-18/h8,23H,6-7H2,1-5H3,(H2,19,20).
What are the key properties of 2-amino-6-tert-butyl-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carbonitrile?
2-amino-6-tert-butyl-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carbonitrile has a molecular weight of 313.41 g/mol, XLogP of 2.31, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-tert-butyl-4-[1-(2-hydroxyethyl)-3,5-dimethylpyrazol-4-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 56861912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).