4-[[[2-[(3-cyclopentyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-cyclopropylbenzamide

C28H33N5O2 — CID 34626707

IUPAC4-[[[2-[(3-cyclopentyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-cyclopropylbenzamide
SMILESCN(CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)Cc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C28H33N5O2/c1-32(18-20-11-13-22(14-12-20)28(35)29-23-15-16-23)19-27(34)30-26-17-25(21-7-5-6-8-21)31-33(26)24-9-3-2-4-10-24/h2-4,9-14,17,21,23H,5-8,15-16,18-19H2,1H3,(H,29,35)(H,30,34)
InChIKeyXEYVROPWUOKLMT-UHFFFAOYSA-N
MW471.61 g/mol
LogP4.49
Rot. Bonds9

About 4-[[[2-[(3-cyclopentyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-cyclopropylbenzamide

4-[[[2-[(3-cyclopentyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-cyclopropylbenzamide (PubChem CID 34626707) has the molecular formula C28H33N5O2 and a molecular weight of 471.61 g/mol. Its IUPAC name is 4-[[[2-[(3-cyclopentyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-cyclopropylbenzamide.

Molecular Properties

Compound Name4-[[[2-[(3-cyclopentyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-cyclopropylbenzamide
PubChem CID34626707
Molecular FormulaC28H33N5O2
Molecular Weight471.61 g/mol
Exact Mass471.26
IUPAC Name4-[[[2-[(3-cyclopentyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-cyclopropylbenzamide
SMILESCN(CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)Cc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C28H33N5O2/c1-32(18-20-11-13-22(14-12-20)28(35)29-23-15-16-23)19-27(34)30-26-17-25(21-7-5-6-8-21)31-33(26)24-9-3-2-4-10-24/h2-4,9-14,17,21,23H,5-8,15-16,18-19H2,1H3,(H,29,35)(H,30,34)
InChIKeyXEYVROPWUOKLMT-UHFFFAOYSA-N
XLogP4.49
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.61
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[2-[(3-cyclopentyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-cyclopropylbenzamide with MolForge

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Related Compounds

2-(4-aminophenyl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide
CID 119684822
4-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)benzamide
CID 78830462
2-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119268734
2-chloro-N-(3-cyclopropyl-1-phenylpyrazol-5-yl)acetamide
CID 2778369
N-cyclopropyl-4-[[methyl-[2-oxo-2-(2,4,5-trichloroanilino)ethyl]amino]methyl]benzamide
CID 34622925
N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-propan-2-yloxypropanamide
CID 112819311
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-4-[(prop-2-enoylamino)methyl]benzamide
CID 166403509
4-amino-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-methoxybutanamide
CID 120586999
N-(3-cyclopropyl-1-phenylpyrazol-5-yl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 110906782
N-cyclopentyl-2-[[2-[methyl-[[4-(methylcarbamoyl)phenyl]methyl]amino]acetyl]amino]benzamide
CID 9124540
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)acetamide;hydrochloride
CID 119684833
3-acetamido-N-(3-cyclopentyl-1-phenylpyrazol-5-yl)-3-phenylpropanamide
CID 78830466

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(3-cyclopentyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-cyclopropylbenzamide?
The IUPAC name of 4-[[[2-[(3-cyclopentyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-cyclopropylbenzamide (CID 34626707) is 4-[[[2-[(3-cyclopentyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-cyclopropylbenzamide.
What is the SMILES notation for 4-[[[2-[(3-cyclopentyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-cyclopropylbenzamide?
The canonical SMILES for 4-[[[2-[(3-cyclopentyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-cyclopropylbenzamide is CN(CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)Cc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of 4-[[[2-[(3-cyclopentyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-cyclopropylbenzamide?
The InChIKey is XEYVROPWUOKLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O2/c1-32(18-20-11-13-22(14-12-20)28(35)29-23-15-16-23)19-27(34)30-26-17-25(21-7-5-6-8-21)31-33(26)24-9-3-2-4-10-24/h2-4,9-14,17,21,23H,5-8,15-16,18-19H2,1H3,(H,29,35)(H,30,34).
What are the key properties of 4-[[[2-[(3-cyclopentyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-cyclopropylbenzamide?
4-[[[2-[(3-cyclopentyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-cyclopropylbenzamide has a molecular weight of 471.61 g/mol, XLogP of 4.49, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(3-cyclopentyl-1-phenylpyrazol-5-yl)amino]-2-oxoethyl]-methylamino]methyl]-N-cyclopropylbenzamide is sourced from PubChem (CID 34626707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).