4-chloro-N-[1-oxo-1-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]propan-2-yl]benzamide

C20H26ClN5O2 — CID 75399348

IUPAC4-chloro-N-[1-oxo-1-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cnn(CCN2CCCCC2)c1
InChIInChI=1S/C20H26ClN5O2/c1-15(23-20(28)16-5-7-17(21)8-6-16)19(27)24-18-13-22-26(14-18)12-11-25-9-3-2-4-10-25/h5-8,13-15H,2-4,9-12H2,1H3,(H,23,28)(H,24,27)
InChIKeyGYSFYMGFMMZCDH-UHFFFAOYSA-N
MW403.91 g/mol
LogP2.78
Rot. Bonds7

About 4-chloro-N-[1-oxo-1-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]propan-2-yl]benzamide

4-chloro-N-[1-oxo-1-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]propan-2-yl]benzamide (PubChem CID 75399348) has the molecular formula C20H26ClN5O2 and a molecular weight of 403.91 g/mol. Its IUPAC name is 4-chloro-N-[1-oxo-1-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]propan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-oxo-1-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]propan-2-yl]benzamide
PubChem CID75399348
Molecular FormulaC20H26ClN5O2
Molecular Weight403.91 g/mol
Exact Mass403.18
IUPAC Name4-chloro-N-[1-oxo-1-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]propan-2-yl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cnn(CCN2CCCCC2)c1
InChIInChI=1S/C20H26ClN5O2/c1-15(23-20(28)16-5-7-17(21)8-6-16)19(27)24-18-13-22-26(14-18)12-11-25-9-3-2-4-10-25/h5-8,13-15H,2-4,9-12H2,1H3,(H,23,28)(H,24,27)
InChIKeyGYSFYMGFMMZCDH-UHFFFAOYSA-N
XLogP2.78
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.91
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[1-oxo-1-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]propan-2-yl]benzamide with MolForge

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Related Compounds

4-tert-butyl-N-[1-[(1-tert-butylpyrazol-4-yl)amino]-1-oxopropan-2-yl]benzamide
CID 71936230
4-methyl-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 121419957
4-chloro-N-[3-methyl-1-oxo-1-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]butan-2-yl]benzamide
CID 112799549
4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide
CID 51147091
4-[(dimethylamino)methyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523458
6-chloro-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]pyridine-3-carboxamide
CID 136523476
4-chloro-N-[1-(methoxymethyl)pyrazol-4-yl]benzamide
CID 19411114
N-(3-methylbutan-2-yl)-4-(piperidin-1-ylmethyl)benzamide
CID 133249904
N-[1-(3-aminopropylamino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 119408578
4-(carbamoylamino)-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]benzamide
CID 136523469
N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112763253
4-chloro-N-[1-[2-(2-methylpropanoylamino)ethylamino]-1-oxopropan-2-yl]benzamide
CID 112767742

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-oxo-1-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]propan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-oxo-1-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]propan-2-yl]benzamide (CID 75399348) is 4-chloro-N-[1-oxo-1-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]propan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-oxo-1-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]propan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-oxo-1-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]propan-2-yl]benzamide is CC(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1cnn(CCN2CCCCC2)c1.
What is the InChIKey of 4-chloro-N-[1-oxo-1-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]propan-2-yl]benzamide?
The InChIKey is GYSFYMGFMMZCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O2/c1-15(23-20(28)16-5-7-17(21)8-6-16)19(27)24-18-13-22-26(14-18)12-11-25-9-3-2-4-10-25/h5-8,13-15H,2-4,9-12H2,1H3,(H,23,28)(H,24,27).
What are the key properties of 4-chloro-N-[1-oxo-1-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]propan-2-yl]benzamide?
4-chloro-N-[1-oxo-1-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]propan-2-yl]benzamide has a molecular weight of 403.91 g/mol, XLogP of 2.78, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-oxo-1-[[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]amino]propan-2-yl]benzamide is sourced from PubChem (CID 75399348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).