N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide

C23H24N4O2 — CID 46485261

IUPACN-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H24N4O2/c1-26(16-18-3-7-19(8-4-18)23(29)25-20-9-10-20)22(28)15-17-5-11-21(12-6-17)27-14-2-13-24-27/h2-8,11-14,20H,9-10,15-16H2,1H3,(H,25,29)
InChIKeyPMSHLYVKSYYCBZ-UHFFFAOYSA-N
MW388.47 g/mol
LogP2.97
Rot. Bonds7

About N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide

N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide (PubChem CID 46485261) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
PubChem CID46485261
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
SMILESCN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)Cc1ccc(-n2cccn2)cc1
InChIInChI=1S/C23H24N4O2/c1-26(16-18-3-7-19(8-4-18)23(29)25-20-9-10-20)22(28)15-17-5-11-21(12-6-17)27-14-2-13-24-27/h2-8,11-14,20H,9-10,15-16H2,1H3,(H,25,29)
InChIKeyPMSHLYVKSYYCBZ-UHFFFAOYSA-N
XLogP2.97
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-4-[[cyclopropyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide
CID 46472604
2-(cyclopropylmethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]acetamide
CID 70786327
N-cyclopentyl-4-[4-[(4-pyrazol-1-ylphenyl)methylamino]piperidin-1-yl]benzamide
CID 42485205
N-methyl-3-pyrazol-1-yl-N-[(4-pyrazol-1-ylphenyl)methyl]butanamide
CID 70746658
4-(cyclopropylcarbamoylamino)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 55838098
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
CID 95862314
N-cyclopropyl-3-[(4-pyrazol-1-ylphenyl)methylamino]propanamide
CID 78978276
N-cyclopropyl-4-[[methyl-[2-[(4-phenylbenzoyl)amino]acetyl]amino]methyl]benzamide
CID 33360987
4-[(dimethylamino)methyl]-N-(4-hydroxycyclohexyl)benzamide
CID 43393996
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 34186155
N-cyclopropyl-4-[[methyl-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]methyl]benzamide
CID 38392360
3-[cyclopropyl-(1-methylimidazol-2-yl)methyl]-1-methyl-1-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 122568205

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide (CID 46485261) is N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide is CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)Cc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide?
The InChIKey is PMSHLYVKSYYCBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-26(16-18-3-7-19(8-4-18)23(29)25-20-9-10-20)22(28)15-17-5-11-21(12-6-17)27-14-2-13-24-27/h2-8,11-14,20H,9-10,15-16H2,1H3,(H,25,29).
What are the key properties of N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide has a molecular weight of 388.47 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[methyl-[2-(4-pyrazol-1-ylphenyl)acetyl]amino]methyl]benzamide is sourced from PubChem (CID 46485261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).