N,N-dimethyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide

C16H16N4O — CID 1473242

IUPACN,N-dimethyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1cc(-c2[nH]ncc2-c2ccccc2)c[nH]1
InChIInChI=1S/C16H16N4O/c1-20(2)16(21)14-8-12(9-17-14)15-13(10-18-19-15)11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,18,19)
InChIKeyOPBUUQBZKJSWTN-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.77
Rot. Bonds3

About N,N-dimethyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide

N,N-dimethyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide (PubChem CID 1473242) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N,N-dimethyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide
PubChem CID1473242
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN,N-dimethyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1cc(-c2[nH]ncc2-c2ccccc2)c[nH]1
InChIInChI=1S/C16H16N4O/c1-20(2)16(21)14-8-12(9-17-14)15-13(10-18-19-15)11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,18,19)
InChIKeyOPBUUQBZKJSWTN-UHFFFAOYSA-N
XLogP2.77
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide?
The IUPAC name of N,N-dimethyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide (CID 1473242) is N,N-dimethyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for N,N-dimethyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide is CN(C)C(=O)c1cc(-c2[nH]ncc2-c2ccccc2)c[nH]1.
What is the InChIKey of N,N-dimethyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide?
The InChIKey is OPBUUQBZKJSWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20(2)16(21)14-8-12(9-17-14)15-13(10-18-19-15)11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,18,19).
What are the key properties of N,N-dimethyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide?
N,N-dimethyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-(4-phenyl-1H-pyrazol-5-yl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 1473242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).