N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide

C19H20N4O2 — CID 95316928

IUPACN-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)c1cn[nH]c1-c1cccnc1
InChIInChI=1S/C19H20N4O2/c1-12-6-7-17(25-3)15(9-12)13(2)22-19(24)16-11-21-23-18(16)14-5-4-8-20-10-14/h4-11,13H,1-3H3,(H,21,23)(H,22,24)/t13-/m0/s1
InChIKeyPGXZVGCHTACPPX-ZDUSSCGKSA-N
MW336.40 g/mol
LogP3.28
Rot. Bonds5

About N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide

N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide (PubChem CID 95316928) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide
PubChem CID95316928
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC NameN-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(C)cc1[C@H](C)NC(=O)c1cn[nH]c1-c1cccnc1
InChIInChI=1S/C19H20N4O2/c1-12-6-7-17(25-3)15(9-12)13(2)22-19(24)16-11-21-23-18(16)14-5-4-8-20-10-14/h4-11,13H,1-3H3,(H,21,23)(H,22,24)/t13-/m0/s1
InChIKeyPGXZVGCHTACPPX-ZDUSSCGKSA-N
XLogP3.28
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 95795144
3-fluoro-N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridine-4-carboxamide
CID 115645589
2-chloro-N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 26009266
5-pyridin-3-yl-N-[(2S,3S)-1,1,1-trifluoro-2-hydroxy-4-methylpentan-3-yl]-1H-pyrazole-4-carboxamide
CID 138035360
N-[1-(2-methoxy-5-methylphenyl)ethyl]pyridin-3-amine
CID 43190608
N-[1-(2-methoxy-5-methylphenyl)ethyl]-2-methylsulfanylbenzamide
CID 18200468
2,4-dimethoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]benzamide
CID 17467082
5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 71824303
5-(4-chlorophenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 94049155
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,5-dimethylbenzamide
CID 2473869
N-[1-(2-methoxy-5-methylphenyl)ethyl]-1H-indazole-3-carboxamide
CID 17462645
N-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]quinoline-2-carboxamide
CID 9262198

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide (CID 95316928) is N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide is COc1ccc(C)cc1[C@H](C)NC(=O)c1cn[nH]c1-c1cccnc1.
What is the InChIKey of N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide?
The InChIKey is PGXZVGCHTACPPX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-12-6-7-17(25-3)15(9-12)13(2)22-19(24)16-11-21-23-18(16)14-5-4-8-20-10-14/h4-11,13H,1-3H3,(H,21,23)(H,22,24)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide?
N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide has a molecular weight of 336.40 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(2-methoxy-5-methylphenyl)ethyl]-5-pyridin-3-yl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 95316928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).