2-amino-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-6-propan-2-yl-5-propylpyridine-3-carbonitrile

C18H25N5O — CID 56865496

IUPAC2-amino-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-6-propan-2-yl-5-propylpyridine-3-carbonitrile
SMILESCCCc1c(C(C)C)nc(N)c(C#N)c1-c1cn(CCO)nc1C
InChIInChI=1S/C18H25N5O/c1-5-6-13-16(15-10-23(7-8-24)22-12(15)4)14(9-19)18(20)21-17(13)11(2)3/h10-11,24H,5-8H2,1-4H3,(H2,20,21)
InChIKeyPAGBAOMHYJFYJS-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.78
Rot. Bonds6

About 2-amino-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-6-propan-2-yl-5-propylpyridine-3-carbonitrile

2-amino-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-6-propan-2-yl-5-propylpyridine-3-carbonitrile (PubChem CID 56865496) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-amino-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-6-propan-2-yl-5-propylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-6-propan-2-yl-5-propylpyridine-3-carbonitrile
PubChem CID56865496
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-amino-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-6-propan-2-yl-5-propylpyridine-3-carbonitrile
SMILESCCCc1c(C(C)C)nc(N)c(C#N)c1-c1cn(CCO)nc1C
InChIInChI=1S/C18H25N5O/c1-5-6-13-16(15-10-23(7-8-24)22-12(15)4)14(9-19)18(20)21-17(13)11(2)3/h10-11,24H,5-8H2,1-4H3,(H2,20,21)
InChIKeyPAGBAOMHYJFYJS-UHFFFAOYSA-N
XLogP2.78
TPSA100.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-6-propan-2-yl-5-propylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-6-propan-2-yl-5-propylpyridine-3-carbonitrile (CID 56865496) is 2-amino-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-6-propan-2-yl-5-propylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-6-propan-2-yl-5-propylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-6-propan-2-yl-5-propylpyridine-3-carbonitrile is CCCc1c(C(C)C)nc(N)c(C#N)c1-c1cn(CCO)nc1C.
What is the InChIKey of 2-amino-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-6-propan-2-yl-5-propylpyridine-3-carbonitrile?
The InChIKey is PAGBAOMHYJFYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-5-6-13-16(15-10-23(7-8-24)22-12(15)4)14(9-19)18(20)21-17(13)11(2)3/h10-11,24H,5-8H2,1-4H3,(H2,20,21).
What are the key properties of 2-amino-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-6-propan-2-yl-5-propylpyridine-3-carbonitrile?
2-amino-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-6-propan-2-yl-5-propylpyridine-3-carbonitrile has a molecular weight of 327.43 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[1-(2-hydroxyethyl)-3-methylpyrazol-4-yl]-6-propan-2-yl-5-propylpyridine-3-carbonitrile is sourced from PubChem (CID 56865496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).