N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide

C16H20N4O — CID 97212014

IUPACN-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
SMILESCc1cnn(Cc2ccc(NC(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C16H20N4O/c1-13-10-17-20(11-13)12-14-4-6-15(7-5-14)18-16(21)19-8-2-3-9-19/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,18,21)
InChIKeyXATKUEPVGCALCW-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.87
Rot. Bonds3

About N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide

N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 97212014) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
PubChem CID97212014
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide
SMILESCc1cnn(Cc2ccc(NC(=O)N3CCCC3)cc2)c1
InChIInChI=1S/C16H20N4O/c1-13-10-17-20(11-13)12-14-4-6-15(7-5-14)18-16(21)19-8-2-3-9-19/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,18,21)
InChIKeyXATKUEPVGCALCW-UHFFFAOYSA-N
XLogP2.87
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide (CID 97212014) is N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide is Cc1cnn(Cc2ccc(NC(=O)N3CCCC3)cc2)c1.
What is the InChIKey of N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is XATKUEPVGCALCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-13-10-17-20(11-13)12-14-4-6-15(7-5-14)18-16(21)19-8-2-3-9-19/h4-7,10-11H,2-3,8-9,12H2,1H3,(H,18,21).
What are the key properties of N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide?
N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methylpyrazol-1-yl)methyl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 97212014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).