3-chloro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide

C21H21ClN4O — CID 75528129

IUPAC3-chloro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2cc(-c3ccccc3)[nH]n2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C21H21ClN4O/c22-17-8-4-7-16(13-17)21(27)23-18-9-11-26(12-10-18)20-14-19(24-25-20)15-5-2-1-3-6-15/h1-8,13-14,18H,9-12H2,(H,23,27)(H,24,25)
InChIKeyKSFWBGDBZKZFMX-UHFFFAOYSA-N
MW380.88 g/mol
LogP4.13
Rot. Bonds4

About 3-chloro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide

3-chloro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (PubChem CID 75528129) has the molecular formula C21H21ClN4O and a molecular weight of 380.88 g/mol. Its IUPAC name is 3-chloro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
PubChem CID75528129
Molecular FormulaC21H21ClN4O
Molecular Weight380.88 g/mol
Exact Mass380.14
IUPAC Name3-chloro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
SMILESO=C(NC1CCN(c2cc(-c3ccccc3)[nH]n2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C21H21ClN4O/c22-17-8-4-7-16(13-17)21(27)23-18-9-11-26(12-10-18)20-14-19(24-25-20)15-5-2-1-3-6-15/h1-8,13-14,18H,9-12H2,(H,23,27)(H,24,25)
InChIKeyKSFWBGDBZKZFMX-UHFFFAOYSA-N
XLogP4.13
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.88
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The IUPAC name of 3-chloro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide (CID 75528129) is 3-chloro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The canonical SMILES for 3-chloro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is O=C(NC1CCN(c2cc(-c3ccccc3)[nH]n2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
The InChIKey is KSFWBGDBZKZFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O/c22-17-8-4-7-16(13-17)21(27)23-18-9-11-26(12-10-18)20-14-19(24-25-20)15-5-2-1-3-6-15/h1-8,13-14,18H,9-12H2,(H,23,27)(H,24,25).
What are the key properties of 3-chloro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide?
3-chloro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide has a molecular weight of 380.88 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(5-phenyl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide is sourced from PubChem (CID 75528129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).