5-[1-[3-(3-methylphenyl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

C19H24N4O2 — CID 71926911

IUPAC5-[1-[3-(3-methylphenyl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1cccc(CCC(=O)N2CCCC(c3cc(C(N)=O)n[nH]3)C2)c1
InChIInChI=1S/C19H24N4O2/c1-13-4-2-5-14(10-13)7-8-18(24)23-9-3-6-15(12-23)16-11-17(19(20)25)22-21-16/h2,4-5,10-11,15H,3,6-9,12H2,1H3,(H2,20,25)(H,21,22)
InChIKeyYUIOTCPDBUVBBG-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.16
Rot. Bonds5

About 5-[1-[3-(3-methylphenyl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide

5-[1-[3-(3-methylphenyl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (PubChem CID 71926911) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-[1-[3-(3-methylphenyl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-[3-(3-methylphenyl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
PubChem CID71926911
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name5-[1-[3-(3-methylphenyl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
SMILESCc1cccc(CCC(=O)N2CCCC(c3cc(C(N)=O)n[nH]3)C2)c1
InChIInChI=1S/C19H24N4O2/c1-13-4-2-5-14(10-13)7-8-18(24)23-9-3-6-15(12-23)16-11-17(19(20)25)22-21-16/h2,4-5,10-11,15H,3,6-9,12H2,1H3,(H2,20,25)(H,21,22)
InChIKeyYUIOTCPDBUVBBG-UHFFFAOYSA-N
XLogP2.16
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[3-(3-methylphenyl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-[3-(3-methylphenyl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide (CID 71926911) is 5-[1-[3-(3-methylphenyl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-[3-(3-methylphenyl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-[3-(3-methylphenyl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is Cc1cccc(CCC(=O)N2CCCC(c3cc(C(N)=O)n[nH]3)C2)c1.
What is the InChIKey of 5-[1-[3-(3-methylphenyl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is YUIOTCPDBUVBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-4-2-5-14(10-13)7-8-18(24)23-9-3-6-15(12-23)16-11-17(19(20)25)22-21-16/h2,4-5,10-11,15H,3,6-9,12H2,1H3,(H2,20,25)(H,21,22).
What are the key properties of 5-[1-[3-(3-methylphenyl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide?
5-[1-[3-(3-methylphenyl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[3-(3-methylphenyl)propanoyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71926911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).