N-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide

C17H23N3O3 — CID 70745624

IUPACN-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)N[C@H](C)[C@@H](O)c2ccc(O)cc2)n(C)n1
InChIInChI=1S/C17H23N3O3/c1-4-5-13-10-15(20(3)19-13)17(23)18-11(2)16(22)12-6-8-14(21)9-7-12/h6-11,16,21-22H,4-5H2,1-3H3,(H,18,23)/t11-,16-/m1/s1
InChIKeyJZACHYKYAWIGNZ-BDJLRTHQSA-N
MW317.39 g/mol
LogP1.93
Rot. Bonds6

About N-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide

N-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide (PubChem CID 70745624) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide
PubChem CID70745624
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide
SMILESCCCc1cc(C(=O)N[C@H](C)[C@@H](O)c2ccc(O)cc2)n(C)n1
InChIInChI=1S/C17H23N3O3/c1-4-5-13-10-15(20(3)19-13)17(23)18-11(2)16(22)12-6-8-14(21)9-7-12/h6-11,16,21-22H,4-5H2,1-3H3,(H,18,23)/t11-,16-/m1/s1
InChIKeyJZACHYKYAWIGNZ-BDJLRTHQSA-N
XLogP1.93
TPSA87.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

PharmaGSID_47263
CID 135418174
5-(2,6-dimethoxyphenyl)-N-[(2S)-1-(2-hydroxybutylamino)-1-oxo-4-phenylbutan-2-yl]-1-(2-methylpropyl)pyrazole-3-carboxamide
CID 118568958
[5-[2-(4-Hydroxyphenyl)ethylamino]-1-propyl-4,5,6,7-tetrahydroindazol-3-yl]-piperidin-1-ylmethanone
CID 146641795
1-[(1R)-2-hydroxy-1-phenylethyl]-5-N-(4-methoxycyclohexyl)-3-N-methylpyrazole-3,5-dicarboxamide
CID 153297983
N-[2-(1-cyclohexen-1-yl)ethyl]-3-(4-hydroxyphenyl)-1H-pyrazole-5-carboxamide
CID 136227368
N-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide
CID 24980475
N-(cyclopropylmethyl)-1-[[3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-5-phenylpyrazole-3-carboxamide
CID 24980477
N-[(1R)-1-[4-(hydroxymethyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 155562166
3-(4-methoxyphenyl)-N-(3-methoxypropyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 4398543
N-isopentyl-3-(4-methoxyphenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 42759703
5-(2-Fluoro-4-methoxyphenyl)-1-methyl-N-(propan-2-YL)-1H-pyrazole-3-carboxamide
CID 46105033
N-cyclopropyl-1-ethyl-3-(2-fluoro-4-methoxyphenyl)pyrazole-5-carboxamide
CID 46105519

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide?
The IUPAC name of N-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide (CID 70745624) is N-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for N-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide?
The canonical SMILES for N-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide is CCCc1cc(C(=O)N[C@H](C)[C@@H](O)c2ccc(O)cc2)n(C)n1.
What is the InChIKey of N-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide?
The InChIKey is JZACHYKYAWIGNZ-BDJLRTHQSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-4-5-13-10-15(20(3)19-13)17(23)18-11(2)16(22)12-6-8-14(21)9-7-12/h6-11,16,21-22H,4-5H2,1-3H3,(H,18,23)/t11-,16-/m1/s1.
What are the key properties of N-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide?
N-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2R)-1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-1-methyl-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 70745624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).