1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide

C19H21FN4O — CID 31843746

IUPAC1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2cnn(C)c2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O/c1-13-9-18(14(2)24(13)17-7-5-16(20)6-8-17)19(25)22(3)11-15-10-21-23(4)12-15/h5-10,12H,11H2,1-4H3
InChIKeyCXZOZBWZXPEULC-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.24
Rot. Bonds4

About 1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide

1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide (PubChem CID 31843746) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
PubChem CID31843746
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC Name1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2cnn(C)c2)c(C)n1-c1ccc(F)cc1
InChIInChI=1S/C19H21FN4O/c1-13-9-18(14(2)24(13)17-7-5-16(20)6-8-17)19(25)22(3)11-15-10-21-23(4)12-15/h5-10,12H,11H2,1-4H3
InChIKeyCXZOZBWZXPEULC-UHFFFAOYSA-N
XLogP3.24
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 55912571
2-amino-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63110187
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60715430
N-benzyl-N,2,5-trimethyl-1-phenylpyrrole-3-carboxamide
CID 30281388
3-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19515649
5-amino-2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61114879
N,2,5-trimethyl-1-phenyl-N-(pyridin-3-ylmethyl)pyrrole-3-carboxamide
CID 78784155
2-(4-fluorophenoxy)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 134037064
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
1-(4-fluorophenyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]methanamine
CID 22196060
5-bromo-2-iodo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31844680
5-amino-2,3-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 107184567

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide (CID 31843746) is 1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide is Cc1cc(C(=O)N(C)Cc2cnn(C)c2)c(C)n1-c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide?
The InChIKey is CXZOZBWZXPEULC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-13-9-18(14(2)24(13)17-7-5-16(20)6-8-17)19(25)22(3)11-15-10-21-23(4)12-15/h5-10,12H,11H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide?
1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide is sourced from PubChem (CID 31843746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).