5-methoxy-1,3-dimethyl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide

C18H21N5O2 — CID 95990127

IUPAC5-methoxy-1,3-dimethyl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCOc1c(C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c(C)nn1C
InChIInChI=1S/C18H21N5O2/c1-12(14-6-8-15(9-7-14)23-11-5-10-19-23)20-17(24)16-13(2)21-22(3)18(16)25-4/h5-12H,1-4H3,(H,20,24)/t12-/m1/s1
InChIKeyIQWJFPDZNCADDW-GFCCVEGCSA-N
MW339.40 g/mol
LogP2.41
Rot. Bonds5

About 5-methoxy-1,3-dimethyl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide

5-methoxy-1,3-dimethyl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide (PubChem CID 95990127) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 5-methoxy-1,3-dimethyl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methoxy-1,3-dimethyl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
PubChem CID95990127
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name5-methoxy-1,3-dimethyl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCOc1c(C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c(C)nn1C
InChIInChI=1S/C18H21N5O2/c1-12(14-6-8-15(9-7-14)23-11-5-10-19-23)20-17(24)16-13(2)21-22(3)18(16)25-4/h5-12H,1-4H3,(H,20,24)/t12-/m1/s1
InChIKeyIQWJFPDZNCADDW-GFCCVEGCSA-N
XLogP2.41
TPSA73.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2,4-dimethyl-N-[(1S)-1-(4-pyrazol-1-ylphenyl)ethyl]quinoline-3-carboxamide
CID 124882388
1,3,5-trimethyl-N-[1-(4-pyrrol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
CID 19281660
N-[1-(2-fluoro-6-methoxyphenyl)ethyl]-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 71998489
3-amino-2-methyl-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide
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3-ethoxy-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]propanamide
CID 95990109
4-amino-3-methoxy-N-[1-(4-pyrazol-1-ylphenyl)ethyl]butanamide;hydrochloride
CID 120593675
3-[(1R)-1-(4-methoxyphenyl)ethyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 131907822
N-(4-ethylsulfanylbutan-2-yl)-5-methoxy-1,3-dimethylpyrazole-4-carboxamide
CID 71993229
1-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]-3-[(2S)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 96518673
4-[1-[[5-(3-ethylphenoxy)-1,3-dimethylpyrazole-4-carbonyl]amino]ethyl]benzoic acid
CID 175201609
4-(methoxymethyl)-N-[1-(4-pyrazol-1-ylphenyl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120636937
1-(4-hydroxy-2,2-dimethylbutyl)-3-[1-(4-pyrazol-1-ylphenyl)ethyl]urea
CID 111509387

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,3-dimethyl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-methoxy-1,3-dimethyl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide (CID 95990127) is 5-methoxy-1,3-dimethyl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-methoxy-1,3-dimethyl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-methoxy-1,3-dimethyl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide is COc1c(C(=O)N[C@H](C)c2ccc(-n3cccn3)cc2)c(C)nn1C.
What is the InChIKey of 5-methoxy-1,3-dimethyl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide?
The InChIKey is IQWJFPDZNCADDW-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-12(14-6-8-15(9-7-14)23-11-5-10-19-23)20-17(24)16-13(2)21-22(3)18(16)25-4/h5-12H,1-4H3,(H,20,24)/t12-/m1/s1.
What are the key properties of 5-methoxy-1,3-dimethyl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide?
5-methoxy-1,3-dimethyl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide has a molecular weight of 339.40 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,3-dimethyl-N-[(1R)-1-(4-pyrazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 95990127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).