3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide

C22H19N5O2 — CID 121165473

IUPAC3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2ccnc(-c3ccncc3)c2)[nH]n1
InChIInChI=1S/C22H19N5O2/c1-29-21-5-3-2-4-17(21)19-13-20(27-26-19)22(28)25-14-15-6-11-24-18(12-15)16-7-9-23-10-8-16/h2-13H,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyBTDHTLYSXPIERS-UHFFFAOYSA-N
MW385.43 g/mol
LogP3.47
Rot. Bonds6

About 3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide

3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 121165473) has the molecular formula C22H19N5O2 and a molecular weight of 385.43 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID121165473
Molecular FormulaC22H19N5O2
Molecular Weight385.43 g/mol
Exact Mass385.15
IUPAC Name3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2ccnc(-c3ccncc3)c2)[nH]n1
InChIInChI=1S/C22H19N5O2/c1-29-21-5-3-2-4-17(21)19-13-20(27-26-19)22(28)25-14-15-6-11-24-18(12-15)16-7-9-23-10-8-16/h2-13H,14H2,1H3,(H,25,28)(H,26,27)
InChIKeyBTDHTLYSXPIERS-UHFFFAOYSA-N
XLogP3.47
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165402
3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 126851451
N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 91817235
methyl 2-[(2-pyridin-4-yl-4-pyridinyl)methylcarbamoyl]benzoate
CID 121165433
N-benzyl-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 53087401
3-(2-chlorophenyl)-N-[(3,4-dimethoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 46920479
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 122162980
3-(2,5-dimethoxyphenyl)-1-methyl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]pyrazole-5-carboxamide
CID 121165342
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
N-[(3-carbamoylphenyl)methyl]-3-pyridin-4-yl-1H-pyrazole-5-carboxamide
CID 123475335
2-(2-fluorophenoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]acetamide
CID 121165301
4-(2-methoxyethoxy)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121165392

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide (CID 121165473) is 3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)NCc2ccnc(-c3ccncc3)c2)[nH]n1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is BTDHTLYSXPIERS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O2/c1-29-21-5-3-2-4-17(21)19-13-20(27-26-19)22(28)25-14-15-6-11-24-18(12-15)16-7-9-23-10-8-16/h2-13H,14H2,1H3,(H,25,28)(H,26,27).
What are the key properties of 3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide?
3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 385.43 g/mol, XLogP of 3.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 121165473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).