N-[2-(diethylamino)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide

C19H28N4O2 — CID 19276378

IUPACN-[2-(diethylamino)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccn(COc2cc(C)cc(C)c2)n1
InChIInChI=1S/C19H28N4O2/c1-5-22(6-2)10-8-20-19(24)18-7-9-23(21-18)14-25-17-12-15(3)11-16(4)13-17/h7,9,11-13H,5-6,8,10,14H2,1-4H3,(H,20,24)
InChIKeyLZRSEJJKOJUNBP-UHFFFAOYSA-N
MW344.46 g/mol
LogP2.61
Rot. Bonds9

About N-[2-(diethylamino)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide

N-[2-(diethylamino)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19276378) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19276378
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC NameN-[2-(diethylamino)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccn(COc2cc(C)cc(C)c2)n1
InChIInChI=1S/C19H28N4O2/c1-5-22(6-2)10-8-20-19(24)18-7-9-23(21-18)14-25-17-12-15(3)11-16(4)13-17/h7,9,11-13H,5-6,8,10,14H2,1-4H3,(H,20,24)
InChIKeyLZRSEJJKOJUNBP-UHFFFAOYSA-N
XLogP2.61
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(diethylamino)ethyl]pyrazole-3-carboxamide
CID 19275493
N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273294
1-[(4-chloro-3-methylphenoxy)methyl]-N-[2-(diethylamino)ethyl]pyrazole-3-carboxamide
CID 19274319
1-[(3,5-dimethylphenoxy)methyl]-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 19276180
N-[2-(diethylamino)ethyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280115
1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxylate
CID 7017316
ethyl (E)-3-[[1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]but-2-enoate
CID 19276327
1-[(3,5-dimethylphenoxy)methyl]-N-(2,6-dimethylphenyl)pyrazole-3-carboxamide
CID 19276149
1-[(3,5-dimethylphenoxy)methyl]-N-[(1-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278822
ethyl 2-[[1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate
CID 19276189
1-[(2,4-dimethylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
CID 19275041
1-[(3,5-dimethylphenoxy)methyl]-N-[(2-ethylpyrazol-3-yl)methyl]-N-methylpyrazole-3-carboxamide
CID 19278825

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide (CID 19276378) is N-[2-(diethylamino)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide is CCN(CC)CCNC(=O)c1ccn(COc2cc(C)cc(C)c2)n1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is LZRSEJJKOJUNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-5-22(6-2)10-8-20-19(24)18-7-9-23(21-18)14-25-17-12-15(3)11-16(4)13-17/h7,9,11-13H,5-6,8,10,14H2,1-4H3,(H,20,24).
What are the key properties of N-[2-(diethylamino)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide?
N-[2-(diethylamino)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 344.46 g/mol, XLogP of 2.61, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19276378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).