N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide

C19H21FN4O — CID 71998677

IUPACN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide
SMILESCCn1nc(C)c(CNC(=O)c2c[nH]cc2-c2ccc(F)cc2)c1C
InChIInChI=1S/C19H21FN4O/c1-4-24-13(3)16(12(2)23-24)11-22-19(25)18-10-21-9-17(18)14-5-7-15(20)8-6-14/h5-10,21H,4,11H2,1-3H3,(H,22,25)
InChIKeyWQANULNPFAXLNR-UHFFFAOYSA-N
MW340.40 g/mol
LogP3.58
Rot. Bonds5

About N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide (PubChem CID 71998677) has the molecular formula C19H21FN4O and a molecular weight of 340.40 g/mol. Its IUPAC name is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide
PubChem CID71998677
Molecular FormulaC19H21FN4O
Molecular Weight340.40 g/mol
Exact Mass340.17
IUPAC NameN-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide
SMILESCCn1nc(C)c(CNC(=O)c2c[nH]cc2-c2ccc(F)cc2)c1C
InChIInChI=1S/C19H21FN4O/c1-4-24-13(3)16(12(2)23-24)11-22-19(25)18-10-21-9-17(18)14-5-7-15(20)8-6-14/h5-10,21H,4,11H2,1-3H3,(H,22,25)
InChIKeyWQANULNPFAXLNR-UHFFFAOYSA-N
XLogP3.58
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide?
The IUPAC name of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide (CID 71998677) is N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide is CCn1nc(C)c(CNC(=O)c2c[nH]cc2-c2ccc(F)cc2)c1C.
What is the InChIKey of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide?
The InChIKey is WQANULNPFAXLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN4O/c1-4-24-13(3)16(12(2)23-24)11-22-19(25)18-10-21-9-17(18)14-5-7-15(20)8-6-14/h5-10,21H,4,11H2,1-3H3,(H,22,25).
What are the key properties of N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide?
N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide has a molecular weight of 340.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-4-(4-fluorophenyl)-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 71998677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).