N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide

C18H26N4O3 — CID 19273294

IUPACN-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccn(COc2ccc(OC)cc2)n1
InChIInChI=1S/C18H26N4O3/c1-4-21(5-2)13-11-19-18(23)17-10-12-22(20-17)14-25-16-8-6-15(24-3)7-9-16/h6-10,12H,4-5,11,13-14H2,1-3H3,(H,19,23)
InChIKeyRJDFSYSSRCQFFX-UHFFFAOYSA-N
MW346.43 g/mol
LogP2.00
Rot. Bonds10

About N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide

N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide (PubChem CID 19273294) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
PubChem CID19273294
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC NameN-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1ccn(COc2ccc(OC)cc2)n1
InChIInChI=1S/C18H26N4O3/c1-4-21(5-2)13-11-19-18(23)17-10-12-22(20-17)14-25-16-8-6-15(24-3)7-9-16/h6-10,12H,4-5,11,13-14H2,1-3H3,(H,19,23)
InChIKeyRJDFSYSSRCQFFX-UHFFFAOYSA-N
XLogP2.00
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(diethylamino)ethyl]-1-[(3,5-dimethylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276378
1-[(4-chloro-3-methylphenoxy)methyl]-N-[2-(diethylamino)ethyl]pyrazole-3-carboxamide
CID 19274319
1-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[2-(diethylamino)ethyl]pyrazole-3-carboxamide
CID 19275493
N-[2-(diethylamino)ethyl]-1-[(2,4-difluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19280115
1-[(4-propan-2-ylphenoxy)methyl]-N-propylpyrazole-3-carboxamide
CID 19275922
1-[(4-fluorophenoxy)methyl]-N-hexylpyrazole-3-carboxamide
CID 19269231
1-[(4-bromophenoxy)methyl]-N-ethylpyrazole-3-carboxamide
CID 19272514
N-(3-methoxypropyl)-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19276079
N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide
CID 19273276
N-(3-ethoxypropyl)-1-[(4-fluorophenoxy)methyl]pyrazole-3-carboxamide
CID 19269479
N-hexyl-1-[(4-propan-2-ylphenoxy)methyl]pyrazole-3-carboxamide
CID 19275835
1-[(4-tert-butylphenoxy)methyl]-N-(3-ethoxypropyl)pyrazole-3-carboxamide
CID 19273902

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide (CID 19273294) is N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide is CCN(CC)CCNC(=O)c1ccn(COc2ccc(OC)cc2)n1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide?
The InChIKey is RJDFSYSSRCQFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-4-21(5-2)13-11-19-18(23)17-10-12-22(20-17)14-25-16-8-6-15(24-3)7-9-16/h6-10,12H,4-5,11,13-14H2,1-3H3,(H,19,23).
What are the key properties of N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide?
N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 2.00, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-1-[(4-methoxyphenoxy)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19273294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).