N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

C21H24N4O2 — CID 46963422

IUPACN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESCOc1cc(C)c(CNC(=O)c2cc(-c3ccccn3)n[nH]2)cc1C(C)C
InChIInChI=1S/C21H24N4O2/c1-13(2)16-10-15(14(3)9-20(16)27-4)12-23-21(26)19-11-18(24-25-19)17-7-5-6-8-22-17/h5-11,13H,12H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyRNNTVHFUYYUAJH-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.84
Rot. Bonds6

About N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide

N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (PubChem CID 46963422) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
PubChem CID46963422
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
SMILESCOc1cc(C)c(CNC(=O)c2cc(-c3ccccn3)n[nH]2)cc1C(C)C
InChIInChI=1S/C21H24N4O2/c1-13(2)16-10-15(14(3)9-20(16)27-4)12-23-21(26)19-11-18(24-25-19)17-7-5-6-8-22-17/h5-11,13H,12H2,1-4H3,(H,23,26)(H,24,25)
InChIKeyRNNTVHFUYYUAJH-UHFFFAOYSA-N
XLogP3.84
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]pyridine-3-carboxamide;hydrochloride
CID 110781248
N-benzyl-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352032
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]acetamide
CID 110781243
N-(1-hydroxy-3-methylpentan-2-yl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 91821141
3-(3,4-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918354
N-[(2-methoxy-4,5-dimethylphenyl)methyl]pyridine-2-carboxamide
CID 110793646
N-(3,4-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352005
N-(2,5-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352014
N-(2-chloro-4,6-dimethoxyphenyl)-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 46352037
N-[3-methoxy-4-(3-methylbutanoylamino)phenyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide
CID 131900789
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-5-methyl-3-pyridin-4-yl-1,2-oxazole-4-carboxamide
CID 16676131
3-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1H-pyrazole-5-carboxamide
CID 20918238

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide (CID 46963422) is N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is COc1cc(C)c(CNC(=O)c2cc(-c3ccccn3)n[nH]2)cc1C(C)C.
What is the InChIKey of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
The InChIKey is RNNTVHFUYYUAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13(2)16-10-15(14(3)9-20(16)27-4)12-23-21(26)19-11-18(24-25-19)17-7-5-6-8-22-17/h5-11,13H,12H2,1-4H3,(H,23,26)(H,24,25).
What are the key properties of N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide?
N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.84, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-2-methyl-5-propan-2-ylphenyl)methyl]-3-pyridin-2-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46963422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).