N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide

C24H22N4O2 — CID 16677379

IUPACN-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(C(NC(=O)c2[nH]nc(-c3ccccc3)c2C)c2ccncc2)cc1
InChIInChI=1S/C24H22N4O2/c1-16-21(17-6-4-3-5-7-17)27-28-22(16)24(29)26-23(19-12-14-25-15-13-19)18-8-10-20(30-2)11-9-18/h3-15,23H,1-2H3,(H,26,29)(H,27,28)
InChIKeyYDHLIEUAYDHDKE-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.31
Rot. Bonds6

About N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide

N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 16677379) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID16677379
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(C(NC(=O)c2[nH]nc(-c3ccccc3)c2C)c2ccncc2)cc1
InChIInChI=1S/C24H22N4O2/c1-16-21(17-6-4-3-5-7-17)27-28-22(16)24(29)26-23(19-12-14-25-15-13-19)18-8-10-20(30-2)11-9-18/h3-15,23H,1-2H3,(H,26,29)(H,27,28)
InChIKeyYDHLIEUAYDHDKE-UHFFFAOYSA-N
XLogP4.31
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide
CID 77079339
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 72879148
N-[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 99929721
N-[(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 2949574
4-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 26174053
N-[(R)-(4-methoxyphenyl)-phenylmethyl]-2-methylbenzamide
CID 976350
N-[1-(4-methoxyphenyl)ethyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790907
N-[(4-methoxyphenyl)-phenylmethyl]-2,6-dimethylpyridine-3-carboxamide
CID 55875751
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139
4-methoxy-N-[phenyl(pyridin-3-yl)methyl]benzamide
CID 20896997
2,3,4,5,6-pentafluoro-N-[(R)-(4-methoxyphenyl)-phenylmethyl]benzamide
CID 2190610
[(S)-(4-methoxyphenyl)-phenylmethyl]urea
CID 870966

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide (CID 16677379) is N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide is COc1ccc(C(NC(=O)c2[nH]nc(-c3ccccc3)c2C)c2ccncc2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is YDHLIEUAYDHDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-16-21(17-6-4-3-5-7-17)27-28-22(16)24(29)26-23(19-12-14-25-15-13-19)18-8-10-20(30-2)11-9-18/h3-15,23H,1-2H3,(H,26,29)(H,27,28).
What are the key properties of N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide?
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.31, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-4-methyl-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 16677379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).