N-[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

C21H24N4O4 — CID 97066487

IUPACN-[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCOc1cc([C@H](C)NC(=O)c2cnn(-c3ccccn3)c2C)ccc1OCCO
InChIInChI=1S/C21H24N4O4/c1-14(16-7-8-18(29-11-10-26)19(12-16)28-3)24-21(27)17-13-23-25(15(17)2)20-6-4-5-9-22-20/h4-9,12-14,26H,10-11H2,1-3H3,(H,24,27)/t14-/m0/s1
InChIKeyLAGLBEIHDJPGHL-AWEZNQCLSA-N
MW396.45 g/mol
LogP2.45
Rot. Bonds8

About N-[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide

N-[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 97066487) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID97066487
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESCOc1cc([C@H](C)NC(=O)c2cnn(-c3ccccn3)c2C)ccc1OCCO
InChIInChI=1S/C21H24N4O4/c1-14(16-7-8-18(29-11-10-26)19(12-16)28-3)24-21(27)17-13-23-25(15(17)2)20-6-4-5-9-22-20/h4-9,12-14,26H,10-11H2,1-3H3,(H,24,27)/t14-/m0/s1
InChIKeyLAGLBEIHDJPGHL-AWEZNQCLSA-N
XLogP2.45
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-2,5-dimethyl-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55634896
N-butan-2-yl-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108793345
1-(4-fluorophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-5-methylpyrazole-4-carboxamide
CID 46414979
2-[(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)amino]propanoic acid
CID 108793355
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-phenylbenzamide
CID 55748194
N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 108738299
1-ethyl-3-[(1R)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]urea
CID 94192184
N-[1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-2-(3-methylphenoxy)acetamide
CID 71885691
2-bromo-N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]benzamide
CID 46416040
5-methyl-N-(2-propoxyphenyl)-1-pyridin-2-ylpyrazole-4-carboxamide
CID 39093834
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-methylbenzamide
CID 2894493
1-ethyl-N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55797489

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide (CID 97066487) is N-[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is COc1cc([C@H](C)NC(=O)c2cnn(-c3ccccn3)c2C)ccc1OCCO.
What is the InChIKey of N-[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is LAGLBEIHDJPGHL-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-14(16-7-8-18(29-11-10-26)19(12-16)28-3)24-21(27)17-13-23-25(15(17)2)20-6-4-5-9-22-20/h4-9,12-14,26H,10-11H2,1-3H3,(H,24,27)/t14-/m0/s1.
What are the key properties of N-[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide?
N-[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 396.45 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[4-(2-hydroxyethoxy)-3-methoxyphenyl]ethyl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 97066487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).