N-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide

C25H28N4O2 — CID 55699387

IUPACN-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide
SMILESCC1=NN(c2ccc(C(=O)N(Cc3ccc(C(=O)NC4CC4)cc3)C3CC3)cc2)CC1
InChIInChI=1S/C25H28N4O2/c1-17-14-15-29(27-17)23-10-6-20(7-11-23)25(31)28(22-12-13-22)16-18-2-4-19(5-3-18)24(30)26-21-8-9-21/h2-7,10-11,21-22H,8-9,12-16H2,1H3,(H,26,30)
InChIKeyUBDIVUPYJDNHKE-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.97
Rot. Bonds7

About N-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide

N-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide (PubChem CID 55699387) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide
PubChem CID55699387
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide
SMILESCC1=NN(c2ccc(C(=O)N(Cc3ccc(C(=O)NC4CC4)cc3)C3CC3)cc2)CC1
InChIInChI=1S/C25H28N4O2/c1-17-14-15-29(27-17)23-10-6-20(7-11-23)25(31)28(22-12-13-22)16-18-2-4-19(5-3-18)24(30)26-21-8-9-21/h2-7,10-11,21-22H,8-9,12-16H2,1H3,(H,26,30)
InChIKeyUBDIVUPYJDNHKE-UHFFFAOYSA-N
XLogP3.97
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 34178936
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4-[[[4-(carbamoylamino)benzoyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
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N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 33339391
cis-(1R,2S)-2-[[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 97234023
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
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CID 95049582
4-(5-methyl-3,4-dihydropyrazol-2-yl)-N-(2-methylsulfanylethyl)benzamide
CID 167958148
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2,5-dimethyl-1-phenylpyrrole-3-carboxamide
CID 37431923
4-[[[2-(cyclopropanecarbonylamino)acetyl]-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 55634418
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-4-(5-methyl-3,4-dihydropyrazol-2-yl)benzamide
CID 111696799
N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-3-(dimethylsulfamoyl)-4,5-dimethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide (CID 55699387) is N-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide is CC1=NN(c2ccc(C(=O)N(Cc3ccc(C(=O)NC4CC4)cc3)C3CC3)cc2)CC1.
What is the InChIKey of N-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide?
The InChIKey is UBDIVUPYJDNHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-17-14-15-29(27-17)23-10-6-20(7-11-23)25(31)28(22-12-13-22)16-18-2-4-19(5-3-18)24(30)26-21-8-9-21/h2-7,10-11,21-22H,8-9,12-16H2,1H3,(H,26,30).
What are the key properties of N-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide?
N-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide has a molecular weight of 416.53 g/mol, XLogP of 3.97, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[cyclopropyl-[4-(5-methyl-3,4-dihydropyrazol-2-yl)benzoyl]amino]methyl]benzamide is sourced from PubChem (CID 55699387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).