3-[5-[4-[(cyclopropylamino)methyl]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide

C23H26N4O — CID 53324184

IUPAC3-[5-[4-[(cyclopropylamino)methyl]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(-c2cc(-c3ccc(CNC4CC4)cc3)[nH]n2)c1
InChIInChI=1S/C23H26N4O/c1-15(2)25-23(28)19-5-3-4-18(12-19)22-13-21(26-27-22)17-8-6-16(7-9-17)14-24-20-10-11-20/h3-9,12-13,15,20,24H,10-11,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyXCCKQXYDJJDHMQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.13
Rot. Bonds7

About 3-[5-[4-[(cyclopropylamino)methyl]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide

3-[5-[4-[(cyclopropylamino)methyl]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide (PubChem CID 53324184) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 3-[5-[4-[(cyclopropylamino)methyl]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-[5-[4-[(cyclopropylamino)methyl]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide
PubChem CID53324184
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name3-[5-[4-[(cyclopropylamino)methyl]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(-c2cc(-c3ccc(CNC4CC4)cc3)[nH]n2)c1
InChIInChI=1S/C23H26N4O/c1-15(2)25-23(28)19-5-3-4-18(12-19)22-13-21(26-27-22)17-8-6-16(7-9-17)14-24-20-10-11-20/h3-9,12-13,15,20,24H,10-11,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyXCCKQXYDJJDHMQ-UHFFFAOYSA-N
XLogP4.13
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 3-[5-[4-[(cyclopropylamino)methyl]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide 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 3-[5-[4-[(cyclopropylamino)methyl]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide?
The IUPAC name of 3-[5-[4-[(cyclopropylamino)methyl]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide (CID 53324184) is 3-[5-[4-[(cyclopropylamino)methyl]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-[5-[4-[(cyclopropylamino)methyl]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide?
The canonical SMILES for 3-[5-[4-[(cyclopropylamino)methyl]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(-c2cc(-c3ccc(CNC4CC4)cc3)[nH]n2)c1.
What is the InChIKey of 3-[5-[4-[(cyclopropylamino)methyl]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide?
The InChIKey is XCCKQXYDJJDHMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-15(2)25-23(28)19-5-3-4-18(12-19)22-13-21(26-27-22)17-8-6-16(7-9-17)14-24-20-10-11-20/h3-9,12-13,15,20,24H,10-11,14H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 3-[5-[4-[(cyclopropylamino)methyl]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide?
3-[5-[4-[(cyclopropylamino)methyl]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide has a molecular weight of 374.49 g/mol, XLogP of 4.13, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-[(cyclopropylamino)methyl]phenyl]-1H-pyrazol-3-yl]-N-propan-2-ylbenzamide is sourced from PubChem (CID 53324184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).