1-(3-methoxyphenyl)-2,5-dimethyl-N-(1-methylpyrazol-4-yl)pyrrole-3-carboxamide

C18H20N4O2 — CID 32610122

IUPAC1-(3-methoxyphenyl)-2,5-dimethyl-N-(1-methylpyrazol-4-yl)pyrrole-3-carboxamide
SMILESCOc1cccc(-n2c(C)cc(C(=O)Nc3cnn(C)c3)c2C)c1
InChIInChI=1S/C18H20N4O2/c1-12-8-17(18(23)20-14-10-19-21(3)11-14)13(2)22(12)15-6-5-7-16(9-15)24-4/h5-11H,1-4H3,(H,20,23)
InChIKeyQBMSHOLLZSDAJM-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.09
Rot. Bonds4

About 1-(3-methoxyphenyl)-2,5-dimethyl-N-(1-methylpyrazol-4-yl)pyrrole-3-carboxamide

1-(3-methoxyphenyl)-2,5-dimethyl-N-(1-methylpyrazol-4-yl)pyrrole-3-carboxamide (PubChem CID 32610122) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-2,5-dimethyl-N-(1-methylpyrazol-4-yl)pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-2,5-dimethyl-N-(1-methylpyrazol-4-yl)pyrrole-3-carboxamide
PubChem CID32610122
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name1-(3-methoxyphenyl)-2,5-dimethyl-N-(1-methylpyrazol-4-yl)pyrrole-3-carboxamide
SMILESCOc1cccc(-n2c(C)cc(C(=O)Nc3cnn(C)c3)c2C)c1
InChIInChI=1S/C18H20N4O2/c1-12-8-17(18(23)20-14-10-19-21(3)11-14)13(2)22(12)15-6-5-7-16(9-15)24-4/h5-11H,1-4H3,(H,20,23)
InChIKeyQBMSHOLLZSDAJM-UHFFFAOYSA-N
XLogP3.09
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-(3-methoxyphenyl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 34319459
1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide
CID 55967503
N-[4-(ethylcarbamoyl)phenyl]-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 55972355
methyl 2-[[4-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carbonyl]amino]benzoyl]amino]acetate
CID 39678474
N-(1-amino-2-methyl-1-oxopropan-2-yl)-1-(3-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 56799041
N-(3,4-dimethoxyphenyl)-2,5-dimethyl-1-(3-methylphenyl)pyrrole-3-carboxamide
CID 26695119
2,5-dimethyl-1-(3-methylphenyl)-N-(4-methylphenyl)pyrrole-3-carboxamide
CID 2423054
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methoxyphenyl)-2,5-dimethylpyrrole-3-carboxamide
CID 60599272
5-methoxy-2-[(1-methylpyrazol-4-yl)carbamoylamino]benzoic acid
CID 115412093
1-(3-methoxyphenyl)-2,5-dimethyl-N-[1-(3-methylbut-2-enyl)piperidin-4-yl]pyrrole-3-carboxamide
CID 56568752
1-(3-methoxyphenyl)-2,5-dimethyl-N-[(4-nitrophenyl)methyl]pyrrole-3-carboxamide
CID 55982368
3-amino-5-methoxy-N-(1-methylpyrazol-4-yl)benzamide
CID 81089867

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-2,5-dimethyl-N-(1-methylpyrazol-4-yl)pyrrole-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-2,5-dimethyl-N-(1-methylpyrazol-4-yl)pyrrole-3-carboxamide (CID 32610122) is 1-(3-methoxyphenyl)-2,5-dimethyl-N-(1-methylpyrazol-4-yl)pyrrole-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-2,5-dimethyl-N-(1-methylpyrazol-4-yl)pyrrole-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-2,5-dimethyl-N-(1-methylpyrazol-4-yl)pyrrole-3-carboxamide is COc1cccc(-n2c(C)cc(C(=O)Nc3cnn(C)c3)c2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-2,5-dimethyl-N-(1-methylpyrazol-4-yl)pyrrole-3-carboxamide?
The InChIKey is QBMSHOLLZSDAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-8-17(18(23)20-14-10-19-21(3)11-14)13(2)22(12)15-6-5-7-16(9-15)24-4/h5-11H,1-4H3,(H,20,23).
What are the key properties of 1-(3-methoxyphenyl)-2,5-dimethyl-N-(1-methylpyrazol-4-yl)pyrrole-3-carboxamide?
1-(3-methoxyphenyl)-2,5-dimethyl-N-(1-methylpyrazol-4-yl)pyrrole-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-2,5-dimethyl-N-(1-methylpyrazol-4-yl)pyrrole-3-carboxamide is sourced from PubChem (CID 32610122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).