N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-4-phenylpyrimidine-2-carboxamide

C21H17N5O — CID 166432284

IUPACN-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-4-phenylpyrimidine-2-carboxamide
SMILESCc1c(NC(=O)c2nccc(-c3ccccc3)n2)n[nH]c1-c1ccccc1
InChIInChI=1S/C21H17N5O/c1-14-18(16-10-6-3-7-11-16)25-26-19(14)24-21(27)20-22-13-12-17(23-20)15-8-4-2-5-9-15/h2-13H,1H3,(H2,24,25,26,27)
InChIKeyPTWODONSPKJFSS-UHFFFAOYSA-N
MW355.40 g/mol
LogP4.09
Rot. Bonds4

About N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-4-phenylpyrimidine-2-carboxamide

N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-4-phenylpyrimidine-2-carboxamide (PubChem CID 166432284) has the molecular formula C21H17N5O and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-4-phenylpyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-4-phenylpyrimidine-2-carboxamide
PubChem CID166432284
Molecular FormulaC21H17N5O
Molecular Weight355.40 g/mol
Exact Mass355.14
IUPAC NameN-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-4-phenylpyrimidine-2-carboxamide
SMILESCc1c(NC(=O)c2nccc(-c3ccccc3)n2)n[nH]c1-c1ccccc1
InChIInChI=1S/C21H17N5O/c1-14-18(16-10-6-3-7-11-16)25-26-19(14)24-21(27)20-22-13-12-17(23-20)15-8-4-2-5-9-15/h2-13H,1H3,(H2,24,25,26,27)
InChIKeyPTWODONSPKJFSS-UHFFFAOYSA-N
XLogP4.09
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-4-phenylpyrimidine-2-carboxamide?
The IUPAC name of N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-4-phenylpyrimidine-2-carboxamide (CID 166432284) is N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-4-phenylpyrimidine-2-carboxamide.
What is the SMILES notation for N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-4-phenylpyrimidine-2-carboxamide?
The canonical SMILES for N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-4-phenylpyrimidine-2-carboxamide is Cc1c(NC(=O)c2nccc(-c3ccccc3)n2)n[nH]c1-c1ccccc1.
What is the InChIKey of N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-4-phenylpyrimidine-2-carboxamide?
The InChIKey is PTWODONSPKJFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O/c1-14-18(16-10-6-3-7-11-16)25-26-19(14)24-21(27)20-22-13-12-17(23-20)15-8-4-2-5-9-15/h2-13H,1H3,(H2,24,25,26,27).
What are the key properties of N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-4-phenylpyrimidine-2-carboxamide?
N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-4-phenylpyrimidine-2-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-phenyl-1H-pyrazol-3-yl)-4-phenylpyrimidine-2-carboxamide is sourced from PubChem (CID 166432284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).