5-amino-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide

C18H26N4O3 — CID 124880194

IUPAC5-amino-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCOc1ccc([C@H](C)NC(=O)c2c(C)nn(C)c2N)cc1OCC
InChIInChI=1S/C18H26N4O3/c1-6-24-14-9-8-13(10-15(14)25-7-2)11(3)20-18(23)16-12(4)21-22(5)17(16)19/h8-11H,6-7,19H2,1-5H3,(H,20,23)/t11-/m0/s1
InChIKeyMPIMYZUDUBYODM-NSHDSACASA-N
MW346.43 g/mol
LogP2.60
Rot. Bonds7

About 5-amino-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide

5-amino-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 124880194) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-amino-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID124880194
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name5-amino-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCCOc1ccc([C@H](C)NC(=O)c2c(C)nn(C)c2N)cc1OCC
InChIInChI=1S/C18H26N4O3/c1-6-24-14-9-8-13(10-15(14)25-7-2)11(3)20-18(23)16-12(4)21-22(5)17(16)19/h8-11H,6-7,19H2,1-5H3,(H,20,23)/t11-/m0/s1
InChIKeyMPIMYZUDUBYODM-NSHDSACASA-N
XLogP2.60
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxamide
CID 46451354
2,6-dichloro-N-[1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 112791671
N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-3,5-dimethylbenzamide
CID 7936483
N-[1-(3,4-diethoxyphenyl)ethyl]-2-ethyl-4-methyl-1,3-thiazole-5-carboxamide
CID 49318232
N-[1-(3,4-diethoxyphenyl)ethyl]furan-3-carboxamide
CID 46415111
4-bromo-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]benzamide
CID 2450618
5-chloro-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]thiophene-2-carboxamide
CID 9418965
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]butanamide
CID 119683000
3-amino-N-[1-(3,4-diethoxyphenyl)ethyl]propanamide
CID 119267772
N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]-4-methoxy-2-methyl-5-propan-2-ylbenzamide
CID 100716738
N-[1-(4-ethoxy-3-methoxyphenyl)ethyl]-2,4,5-trimethylfuran-3-carboxamide
CID 46418044
2-chloro-N-[1-(3,4-diethoxyphenyl)ethyl]acetamide
CID 3554699

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide (CID 124880194) is 5-amino-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide is CCOc1ccc([C@H](C)NC(=O)c2c(C)nn(C)c2N)cc1OCC.
What is the InChIKey of 5-amino-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is MPIMYZUDUBYODM-NSHDSACASA-N. The full InChI is InChI=1S/C18H26N4O3/c1-6-24-14-9-8-13(10-15(14)25-7-2)11(3)20-18(23)16-12(4)21-22(5)17(16)19/h8-11H,6-7,19H2,1-5H3,(H,20,23)/t11-/m0/s1.
What are the key properties of 5-amino-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide?
5-amino-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 124880194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).