N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide

C19H22N4O2 — CID 38107143

IUPACN,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C19H22N4O2/c1-15-8-4-5-9-17(15)25-13-12-21(2)19(24)16-14-20-22(3)18(16)23-10-6-7-11-23/h4-11,14H,12-13H2,1-3H3
InChIKeyVYOMCJLHNUFSRS-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.67
Rot. Bonds6

About N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide

N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 38107143) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID38107143
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1ccccc1OCCN(C)C(=O)c1cnn(C)c1-n1cccc1
InChIInChI=1S/C19H22N4O2/c1-15-8-4-5-9-17(15)25-13-12-21(2)19(24)16-14-20-22(3)18(16)23-10-6-7-11-23/h4-11,14H,12-13H2,1-3H3
InChIKeyVYOMCJLHNUFSRS-UHFFFAOYSA-N
XLogP2.67
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-hydroxypentyl)-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 107202135
N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-6-oxopyridazine-3-carboxamide
CID 51241769
N-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38045932
N-[(2,4-difluorophenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38230240
N,1,3-trimethyl-N-[2-(2-methylphenoxy)ethyl]pyrazolo[5,4-b]pyridine-5-carboxamide
CID 31342976
2-bromo-N-methyl-N-[2-(2-methylphenoxy)ethyl]furan-3-carboxamide
CID 106853383
N,1-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38074949
1-(6-methoxypyridazin-3-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 55543995
N-methyl-N-[2-(2-methylphenoxy)ethyl]quinoline-2-carboxamide
CID 26979234
N-methyl-N-[2-(2-methylphenoxy)ethyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979557
1-methyl-1-[2-(2-methylphenoxy)ethyl]-3-(3-pyrrol-1-ylphenyl)urea
CID 56505146
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119944826

Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 38107143) is N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide is Cc1ccccc1OCCN(C)C(=O)c1cnn(C)c1-n1cccc1.
What is the InChIKey of N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is VYOMCJLHNUFSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-15-8-4-5-9-17(15)25-13-12-21(2)19(24)16-14-20-22(3)18(16)23-10-6-7-11-23/h4-11,14H,12-13H2,1-3H3.
What are the key properties of N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide?
N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-N-[2-(2-methylphenoxy)ethyl]-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 38107143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).