2-chloro-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide

C24H27ClN4O — CID 24818855

IUPAC2-chloro-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCC(CN1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C24H27ClN4O/c1-18(19-7-3-2-4-8-19)17-28-15-12-20(13-16-28)29-23(11-14-26-29)27-24(30)21-9-5-6-10-22(21)25/h2-11,14,18,20H,12-13,15-17H2,1H3,(H,27,30)
InChIKeyRGLLOWQRRCGTIA-UHFFFAOYSA-N
MW422.96 g/mol
LogP5.23
Rot. Bonds6

About 2-chloro-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide

2-chloro-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide (PubChem CID 24818855) has the molecular formula C24H27ClN4O and a molecular weight of 422.96 g/mol. Its IUPAC name is 2-chloro-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide
PubChem CID24818855
Molecular FormulaC24H27ClN4O
Molecular Weight422.96 g/mol
Exact Mass422.19
IUPAC Name2-chloro-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide
SMILESCC(CN1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1)c1ccccc1
InChIInChI=1S/C24H27ClN4O/c1-18(19-7-3-2-4-8-19)17-28-15-12-20(13-16-28)29-23(11-14-26-29)27-24(30)21-9-5-6-10-22(21)25/h2-11,14,18,20H,12-13,15-17H2,1H3,(H,27,30)
InChIKeyRGLLOWQRRCGTIA-UHFFFAOYSA-N
XLogP5.23
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.96
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 135450098
CID 135532460
CID 135532460
CID 135547867
CID 135547867
CID 135843788
CID 135843788
CID 135843975
CID 135843975
CID 136030602
CID 136030602
CID 136059347
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CID 810450
CID 810450

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The IUPAC name of 2-chloro-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide (CID 24818855) is 2-chloro-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide.
What is the SMILES notation for 2-chloro-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The canonical SMILES for 2-chloro-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide is CC(CN1CCC(n2nccc2NC(=O)c2ccccc2Cl)CC1)c1ccccc1.
What is the InChIKey of 2-chloro-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
The InChIKey is RGLLOWQRRCGTIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O/c1-18(19-7-3-2-4-8-19)17-28-15-12-20(13-16-28)29-23(11-14-26-29)27-24(30)21-9-5-6-10-22(21)25/h2-11,14,18,20H,12-13,15-17H2,1H3,(H,27,30).
What are the key properties of 2-chloro-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide?
2-chloro-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide has a molecular weight of 422.96 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-[1-(2-phenylpropyl)piperidin-4-yl]pyrazol-3-yl]benzamide is sourced from PubChem (CID 24818855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).