N-[1-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide

C19H27N3O3 — CID 70788095

IUPACN-[1-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H27N3O3/c1-7-22-16(11-15(21-22)12(2)3)19(23)20-13(4)14-8-9-17(24-5)18(10-14)25-6/h8-13H,7H2,1-6H3,(H,20,23)
InChIKeyDNBFXJYLOPEIKW-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.53
Rot. Bonds7

About N-[1-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide

N-[1-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 70788095) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is N-[1-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
PubChem CID70788095
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC NameN-[1-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C(C)C)cc1C(=O)NC(C)c1ccc(OC)c(OC)c1
InChIInChI=1S/C19H27N3O3/c1-7-22-16(11-15(21-22)12(2)3)19(23)20-13(4)14-8-9-17(24-5)18(10-14)25-6/h8-13H,7H2,1-6H3,(H,20,23)
InChIKeyDNBFXJYLOPEIKW-UHFFFAOYSA-N
XLogP3.53
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3,4-dimethoxyphenyl)ethyl]-4-propan-2-ylbenzamide
CID 17329415
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-ethylbutanamide
CID 17329435
N-[1-(3,4-dimethoxyphenyl)ethyl]pyridine-4-carboxamide
CID 2970831
2-[(1-ethyl-3-propan-2-ylpyrazole-5-carbonyl)amino]-3-hydroxybutanoic acid
CID 43170287
N-[1-(1-ethylpyrazol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 19462670
4-tert-butyl-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 1344308
N-[1-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyethylamino)acetamide
CID 79270541
(2S)-2-amino-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-methylpentanamide
CID 61166177
N-[1-(3,4-dimethoxyphenyl)ethyl]-4-methoxy-3-methylbenzamide
CID 43874097
3,4-dimethoxy-N-[1-(3-methoxy-4-pentoxyphenyl)ethyl]benzamide
CID 55747285
3,4-dimethoxy-N-[1-(4-propan-2-ylphenyl)ethyl]benzamide
CID 17328593
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2,6-difluorobenzamide
CID 42563500

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of N-[1-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide (CID 70788095) is N-[1-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for N-[1-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)NC(C)c1ccc(OC)c(OC)c1.
What is the InChIKey of N-[1-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is DNBFXJYLOPEIKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-7-22-16(11-15(21-22)12(2)3)19(23)20-13(4)14-8-9-17(24-5)18(10-14)25-6/h8-13H,7H2,1-6H3,(H,20,23).
What are the key properties of N-[1-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 345.44 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 70788095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).