N-ethyl-1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide

C19H25N3O3 — CID 47080217

IUPACN-ethyl-1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide
SMILESCCN(CC1CCOC1)C(=O)c1ccn(-c2cc(C)ccc2OC)n1
InChIInChI=1S/C19H25N3O3/c1-4-21(12-15-8-10-25-13-15)19(23)16-7-9-22(20-16)17-11-14(2)5-6-18(17)24-3/h5-7,9,11,15H,4,8,10,12-13H2,1-3H3
InChIKeyRIIKAFJSOIXAIT-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.69
Rot. Bonds6

About N-ethyl-1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide

N-ethyl-1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide (PubChem CID 47080217) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-ethyl-1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide
PubChem CID47080217
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-ethyl-1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide
SMILESCCN(CC1CCOC1)C(=O)c1ccn(-c2cc(C)ccc2OC)n1
InChIInChI=1S/C19H25N3O3/c1-4-21(12-15-8-10-25-13-15)19(23)16-7-9-22(20-16)17-11-14(2)5-6-18(17)24-3/h5-7,9,11,15H,4,8,10,12-13H2,1-3H3
InChIKeyRIIKAFJSOIXAIT-UHFFFAOYSA-N
XLogP2.69
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(2-methoxy-5-methylphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 712427
4-methoxy-N-[(4-methoxyphenyl)methyl]-1-phenylpyrazole-3-carboxamide
CID 7992549
4-methoxy-N-(2-methoxy-5-methylphenyl)-1-phenylpyrazole-3-carboxamide
CID 7992588
3-(2-Methoxy-phenylcarbamoyl)-pyrazole-1-carboxylic acid butyl ester
CID 654121
[4-(2-methoxyphenyl)piperazino](1-phenyl-5-propyl-1H-pyrazol-4-yl)methanone
CID 2811414
N-(2-methoxy-5-methylphenyl)pyrazolo[1,5-a]pyridine-2-carboxamide
CID 16024897
1-Ethyl-5-{3-[2-(4-fluorophenoxy)ethyl]pyrrolidine-1-carbonyl}-1H-pyrazole
CID 91919961
1-(2-methoxyphenyl)-5-phenyl-6H-pyrrolo[3,4-d]pyrazol-4-one
CID 166630723
N-[2-(4-ethoxyphenyl)ethyl]-2-methylpyrazole-3-carboxamide
CID 57527737
US11104680, Example 22
CID 131984959
US11104680, Example 26
CID 131997434
US11104680, Example 27
CID 131997435

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide?
The IUPAC name of N-ethyl-1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide (CID 47080217) is N-ethyl-1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide is CCN(CC1CCOC1)C(=O)c1ccn(-c2cc(C)ccc2OC)n1.
What is the InChIKey of N-ethyl-1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide?
The InChIKey is RIIKAFJSOIXAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-4-21(12-15-8-10-25-13-15)19(23)16-7-9-22(20-16)17-11-14(2)5-6-18(17)24-3/h5-7,9,11,15H,4,8,10,12-13H2,1-3H3.
What are the key properties of N-ethyl-1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide?
N-ethyl-1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methoxy-5-methylphenyl)-N-(oxolan-3-ylmethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 47080217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).