1-cyclopropyl-4-(4-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide

C18H21FN2O — CID 3787279

IUPAC1-cyclopropyl-4-(4-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide
SMILESCCCc1c(-c2ccc(F)cc2)c(C(N)=O)c(C)n1C1CC1
InChIInChI=1S/C18H21FN2O/c1-3-4-15-17(12-5-7-13(19)8-6-12)16(18(20)22)11(2)21(15)14-9-10-14/h5-8,14H,3-4,9-10H2,1-2H3,(H2,20,22)
InChIKeyCIVJDQADLZVKCB-UHFFFAOYSA-N
MW300.38 g/mol
LogP3.99
Rot. Bonds5

About 1-cyclopropyl-4-(4-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide

1-cyclopropyl-4-(4-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide (PubChem CID 3787279) has the molecular formula C18H21FN2O and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-cyclopropyl-4-(4-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-4-(4-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide
PubChem CID3787279
Molecular FormulaC18H21FN2O
Molecular Weight300.38 g/mol
Exact Mass300.16
IUPAC Name1-cyclopropyl-4-(4-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide
SMILESCCCc1c(-c2ccc(F)cc2)c(C(N)=O)c(C)n1C1CC1
InChIInChI=1S/C18H21FN2O/c1-3-4-15-17(12-5-7-13(19)8-6-12)16(18(20)22)11(2)21(15)14-9-10-14/h5-8,14H,3-4,9-10H2,1-2H3,(H2,20,22)
InChIKeyCIVJDQADLZVKCB-UHFFFAOYSA-N
XLogP3.99
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-butyl-1-cyclopropyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3791738
1-cyclooctyl-2-methyl-4-(4-methylphenyl)-5-pentylpyrrole-3-carboxamide
CID 3602922
1-cyclooctyl-2-methyl-5-pentyl-4-phenylpyrrole-3-carboxamide
CID 3870481
methyl 3-[3-(4-tert-butylphenyl)-4-carbamoyl-1-cyclopropyl-5-methylpyrrol-2-yl]propanoate
CID 3685626
1-cyclopropyl-2,5-dimethyl-4-(4-methylphenyl)pyrrole-3-carboxamide
CID 3729418
methyl 3-[4-carbamoyl-1-cyclopropyl-5-methyl-3-(4-pyrrolidin-1-ylphenyl)pyrrol-2-yl]propanoate
CID 3836286
methyl 3-(4-carbamoyl-1-cyclopropyl-5-methyl-3-pyridin-3-ylpyrrol-2-yl)propanoate
CID 3736082
4-(4-cyanophenyl)-1-cyclopropyl-2,5-dimethylpyrrole-3-carboxamide
CID 3812558
1-[3-(dimethylamino)propyl]-5-ethyl-4-(4-fluorophenyl)-2-methylpyrrole-3-carboxamide
CID 3759188
1-butyl-2-methyl-4-(4-phenylphenyl)-5-propylpyrrole-3-carboxamide
CID 3744481
2-methyl-4-(4-methylphenyl)-1-(2-phosphorosoethyl)-5-propylpyrrole-3-carboxamide
CID 59526415
1-(2,3-dihydro-1H-inden-1-yl)-4-(3-hydroxyphenyl)-2-methyl-5-propylpyrrole-3-carboxamide
CID 3607365

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(4-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide?
The IUPAC name of 1-cyclopropyl-4-(4-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide (CID 3787279) is 1-cyclopropyl-4-(4-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide.
What is the SMILES notation for 1-cyclopropyl-4-(4-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide?
The canonical SMILES for 1-cyclopropyl-4-(4-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide is CCCc1c(-c2ccc(F)cc2)c(C(N)=O)c(C)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-4-(4-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide?
The InChIKey is CIVJDQADLZVKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O/c1-3-4-15-17(12-5-7-13(19)8-6-12)16(18(20)22)11(2)21(15)14-9-10-14/h5-8,14H,3-4,9-10H2,1-2H3,(H2,20,22).
What are the key properties of 1-cyclopropyl-4-(4-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide?
1-cyclopropyl-4-(4-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(4-fluorophenyl)-2-methyl-5-propylpyrrole-3-carboxamide is sourced from PubChem (CID 3787279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).