1-[(2-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

C18H24N4O3 — CID 19277597

IUPAC1-[(2-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCc1ccccc1OCn1ccc(C(=O)NCCN2CCOCC2)n1
InChIInChI=1S/C18H24N4O3/c1-15-4-2-3-5-17(15)25-14-22-8-6-16(20-22)18(23)19-7-9-21-10-12-24-13-11-21/h2-6,8H,7,9-14H2,1H3,(H,19,23)
InChIKeyGCWYONGXAZYGME-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.29
Rot. Bonds7

About 1-[(2-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide

1-[(2-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (PubChem CID 19277597) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(2-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[(2-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
PubChem CID19277597
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name1-[(2-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide
SMILESCc1ccccc1OCn1ccc(C(=O)NCCN2CCOCC2)n1
InChIInChI=1S/C18H24N4O3/c1-15-4-2-3-5-17(15)25-14-22-8-6-16(20-22)18(23)19-7-9-21-10-12-24-13-11-21/h2-6,8H,7,9-14H2,1H3,(H,19,23)
InChIKeyGCWYONGXAZYGME-UHFFFAOYSA-N
XLogP1.29
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 892441
N'-{(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylidene}-1H-pyrazole-3-carbohydrazide
CID 9698850
Cfm-1571
CID 9844347
4-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11531941
3-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11553617
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-fluorobenzamide
CID 11655664
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-methoxybenzamide
CID 11698617
(4-Bromo-1-methyl-1H-pyrazol-3-yl)-{4-[2-(4-methoxyphenyl)-ethyl]piperazin-1-yl}methanone
CID 24811073
2,4-Difluoro-N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833073
3,4-Difluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-benzamide
CID 46833076
N-{3-(2-Methyl-2H-pyrazol-3-yl)-4-[2-(3-oxo-piperazin-1-yl)-ethoxy]-phenyl}-3-trifluoromethyl-benzamide
CID 46833077
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-(trifluoromethyl)benzamide
CID 46833371

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The IUPAC name of 1-[(2-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide (CID 19277597) is 1-[(2-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-[(2-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-[(2-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is Cc1ccccc1OCn1ccc(C(=O)NCCN2CCOCC2)n1.
What is the InChIKey of 1-[(2-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
The InChIKey is GCWYONGXAZYGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-15-4-2-3-5-17(15)25-14-22-8-6-16(20-22)18(23)19-7-9-21-10-12-24-13-11-21/h2-6,8H,7,9-14H2,1H3,(H,19,23).
What are the key properties of 1-[(2-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide?
1-[(2-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.29, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methylphenoxy)methyl]-N-(2-morpholin-4-ylethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19277597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).