N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide

C17H23N3O3 — CID 111695079

IUPACN-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C17H23N3O3/c1-12-16(17(22)19(3)10-15(21)11-23-4)13(2)20(18-12)14-8-6-5-7-9-14/h5-9,15,21H,10-11H2,1-4H3
InChIKeyLHCQZZHWRDGKEQ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.57
Rot. Bonds6

About N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide

N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide (PubChem CID 111695079) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide
PubChem CID111695079
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1c(C)nn(-c2ccccc2)c1C
InChIInChI=1S/C17H23N3O3/c1-12-16(17(22)19(3)10-15(21)11-23-4)13(2)20(18-12)14-8-6-5-7-9-14/h5-9,15,21H,10-11H2,1-4H3
InChIKeyLHCQZZHWRDGKEQ-UHFFFAOYSA-N
XLogP1.57
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-hydroxy-3-methoxypropyl)-N,2,6-trimethylbenzamide
CID 103769303
N-[3-(2-methoxyethoxy)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134029697
5-chloro-N-[2-(4-methoxyphenoxy)ethyl]-N,3-dimethyl-1-phenylpyrazole-4-carboxamide
CID 31284852
N-[2-(2-fluorophenoxy)ethyl]-1-(4-fluorophenyl)-N,3,5-trimethylpyrazole-4-carboxamide
CID 46656087
N-[(2-chloro-6-fluorophenyl)methyl]-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide
CID 31361212
N-(2-chloro-3-methoxypropyl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 63398323
N-(2-ethoxyethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 75461604
3,5-dimethyl-N-(4-methylpentyl)-1-phenylpyrazole-4-carboxamide
CID 33076349
N-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 51273944
(2R)-1-[[(2R)-butan-2-yl]-[[3-methyl-5-(4-methylphenoxy)-1-phenylpyrazol-4-yl]methyl]amino]-3-methoxypropan-2-ol
CID 98632772
N-(2-aminoethyl)-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 119382148
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 51150933

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide (CID 111695079) is N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide is COCC(O)CN(C)C(=O)c1c(C)nn(-c2ccccc2)c1C.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is LHCQZZHWRDGKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-16(17(22)19(3)10-15(21)11-23-4)13(2)20(18-12)14-8-6-5-7-9-14/h5-9,15,21H,10-11H2,1-4H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide?
N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 317.39 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-N,3,5-trimethyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 111695079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).