5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide

C17H23N3O4 — CID 100906875

IUPAC5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)N[C@@H](CO)C(C)C)cc1OC
InChIInChI=1S/C17H23N3O4/c1-10(2)13(9-21)19-17(22)12-8-18-20-16(12)11-5-6-14(23-3)15(7-11)24-4/h5-8,10,13,21H,9H2,1-4H3,(H,18,20)(H,19,22)/t13-/m0/s1
InChIKeyJCGQYNMDSUIIMI-ZDUSSCGKSA-N
MW333.39 g/mol
LogP1.84
Rot. Bonds7

About 5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide

5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide (PubChem CID 100906875) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
PubChem CID100906875
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide
SMILESCOc1ccc(-c2[nH]ncc2C(=O)N[C@@H](CO)C(C)C)cc1OC
InChIInChI=1S/C17H23N3O4/c1-10(2)13(9-21)19-17(22)12-8-18-20-16(12)11-5-6-14(23-3)15(7-11)24-4/h5-8,10,13,21H,9H2,1-4H3,(H,18,20)(H,19,22)/t13-/m0/s1
InChIKeyJCGQYNMDSUIIMI-ZDUSSCGKSA-N
XLogP1.84
TPSA96.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,4-dimethoxyphenyl)-N-(1-hydroxy-3-methylbutan-2-yl)-1H-pyrazole-4-carboxamide
CID 91639554
5-(3,4-dimethoxyphenyl)-N-[1-(4-fluorophenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 71824303
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-5-(4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 95795144
5-(4-chlorophenyl)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 94049155
5-(3-chloro-4-ethoxyphenyl)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 95795220
N-(cyclohexylmethyl)-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 71824298
5-(3-chloro-4-methoxyphenyl)-N-(1-hydroxy-3-phenylpropan-2-yl)-1H-pyrazole-4-carboxamide
CID 91641083
2-[5-(3,4-dimethoxyphenyl)-1H-pyrazol-4-yl]acetic acid
CID 82302588
2-amino-N-(1-hydroxy-3-methylbutan-2-yl)-4,5-dimethoxybenzamide
CID 79247786
3-(3,4-dimethoxyphenyl)-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-5-carboxamide
CID 124853927
N-[[(1R,9aS)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 100906393
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-5-(3,4-dimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 99995885

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide (CID 100906875) is 5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide is COc1ccc(-c2[nH]ncc2C(=O)N[C@@H](CO)C(C)C)cc1OC.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is JCGQYNMDSUIIMI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-10(2)13(9-21)19-17(22)12-8-18-20-16(12)11-5-6-14(23-3)15(7-11)24-4/h5-8,10,13,21H,9H2,1-4H3,(H,18,20)(H,19,22)/t13-/m0/s1.
What are the key properties of 5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide?
5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.84, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 100906875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).