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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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).