N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

C19H18N6O — CID 122285165

IUPACN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1cccc(-c2cn3cccnc3n2)c1
InChIInChI=1S/C19H18N6O/c1-12-17(13(2)24(3)23-12)18(26)21-15-7-4-6-14(10-15)16-11-25-9-5-8-20-19(25)22-16/h4-11H,1-3H3,(H,21,26)
InChIKeyLWQIQISANCKBHZ-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.00
Rot. Bonds3

About N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide

N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (PubChem CID 122285165) has the molecular formula C19H18N6O and a molecular weight of 346.39 g/mol. Its IUPAC name is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
PubChem CID122285165
Molecular FormulaC19H18N6O
Molecular Weight346.39 g/mol
Exact Mass346.15
IUPAC NameN-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)Nc1cccc(-c2cn3cccnc3n2)c1
InChIInChI=1S/C19H18N6O/c1-12-17(13(2)24(3)23-12)18(26)21-15-7-4-6-14(10-15)16-11-25-9-5-8-20-19(25)22-16/h4-11H,1-3H3,(H,21,26)
InChIKeyLWQIQISANCKBHZ-UHFFFAOYSA-N
XLogP3.00
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The IUPAC name of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide (CID 122285165) is N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The canonical SMILES for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)Nc1cccc(-c2cn3cccnc3n2)c1.
What is the InChIKey of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
The InChIKey is LWQIQISANCKBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O/c1-12-17(13(2)24(3)23-12)18(26)21-15-7-4-6-14(10-15)16-11-25-9-5-8-20-19(25)22-16/h4-11H,1-3H3,(H,21,26).
What are the key properties of N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide?
N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-imidazo[1,2-a]pyrimidin-2-ylphenyl)-1,3,5-trimethylpyrazole-4-carboxamide is sourced from PubChem (CID 122285165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).