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

C21H20N6O2 — CID 126851451

IUPAC3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2ccnc(-c3cnn(C)c3)c2)[nH]n1
InChIInChI=1S/C21H20N6O2/c1-27-13-15(12-24-27)17-9-14(7-8-22-17)11-23-21(28)19-10-18(25-26-19)16-5-3-4-6-20(16)29-2/h3-10,12-13H,11H2,1-2H3,(H,23,28)(H,25,26)
InChIKeyCVYWGXDMELCHTH-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.81
Rot. Bonds6

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

3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 126851451) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
PubChem CID126851451
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC Name3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2ccnc(-c3cnn(C)c3)c2)[nH]n1
InChIInChI=1S/C21H20N6O2/c1-27-13-15(12-24-27)17-9-14(7-8-22-17)11-23-21(28)19-10-18(25-26-19)16-5-3-4-6-20(16)29-2/h3-10,12-13H,11H2,1-2H3,(H,23,28)(H,25,26)
InChIKeyCVYWGXDMELCHTH-UHFFFAOYSA-N
XLogP2.81
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(5-ethyl-2-hydroxyphenyl)-N-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
CID 1856804
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CID 52933916
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 52935715
1-[2-(dimethylamino)ethyl]-N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)indole-3-carboxamide
CID 52935926
N-[(1R)-1-(3-methoxyphenyl)ethyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57396000
US10022354, Example 7
CID 121279570
3-(2-(Benzyloxy)phenyl)-N'-(3-pyridinylmethylene)-1H-pyrazole-5-carbohydrazide
CID 9560074
4-(5-(3,5-dimethyl-1H-pyrazol-4-yl)pyridin-3-yl)-2-(propan-2-yloxy)benzamide
CID 154726271
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CID 135523939
(5E)-5-(3,5-dimethyl-6-oxocyclohexa-2,4-dien-1-ylidene)-N-pyridin-3-yl-1,2-dihydropyrazole-3-carboxamide
CID 1974306
N-[1-(3-methoxyphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
CID 50898239
N-[(3-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-2-carboxamide
CID 52935500

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide (CID 126851451) is 3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)NCc2ccnc(-c3cnn(C)c3)c2)[nH]n1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is CVYWGXDMELCHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-27-13-15(12-24-27)17-9-14(7-8-22-17)11-23-21(28)19-10-18(25-26-19)16-5-3-4-6-20(16)29-2/h3-10,12-13H,11H2,1-2H3,(H,23,28)(H,25,26).
What are the key properties of 3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?
3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.81, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 126851451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).