N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide

C16H16N4O — CID 110480964

IUPACN-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCn1cc(-c2cccc(CNC(=O)c3ccc[nH]3)c2)cn1
InChIInChI=1S/C16H16N4O/c1-20-11-14(10-19-20)13-5-2-4-12(8-13)9-18-16(21)15-6-3-7-17-15/h2-8,10-11,17H,9H2,1H3,(H,18,21)
InChIKeyUODSCSXXZYAERH-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.35
Rot. Bonds4

About N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide

N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide (PubChem CID 110480964) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide
PubChem CID110480964
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC NameN-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide
SMILESCn1cc(-c2cccc(CNC(=O)c3ccc[nH]3)c2)cn1
InChIInChI=1S/C16H16N4O/c1-20-11-14(10-19-20)13-5-2-4-12(8-13)9-18-16(21)15-6-3-7-17-15/h2-8,10-11,17H,9H2,1H3,(H,18,21)
InChIKeyUODSCSXXZYAERH-UHFFFAOYSA-N
XLogP2.35
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide (CID 110480964) is N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide is Cn1cc(-c2cccc(CNC(=O)c3ccc[nH]3)c2)cn1.
What is the InChIKey of N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is UODSCSXXZYAERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c1-20-11-14(10-19-20)13-5-2-4-12(8-13)9-18-16(21)15-6-3-7-17-15/h2-8,10-11,17H,9H2,1H3,(H,18,21).
What are the key properties of N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide?
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 110480964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).