N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide

C21H22N4O3 — CID 24791034

IUPACN-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C21H22N4O3/c1-15-4-2-3-5-18(15)20(26)23-19-6-10-22-25(19)17-7-11-24(12-8-17)21(27)16-9-13-28-14-16/h2-6,9-10,13-14,17H,7-8,11-12H2,1H3,(H,23,26)
InChIKeySZURBPWXUKMJJQ-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.51
Rot. Bonds4

About N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide

N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide (PubChem CID 24791034) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
PubChem CID24791034
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C21H22N4O3/c1-15-4-2-3-5-18(15)20(26)23-19-6-10-22-25(19)17-7-11-24(12-8-17)21(27)16-9-13-28-14-16/h2-6,9-10,13-14,17H,7-8,11-12H2,1H3,(H,23,26)
InChIKeySZURBPWXUKMJJQ-UHFFFAOYSA-N
XLogP3.51
TPSA80.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
The IUPAC name of N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide (CID 24791034) is N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1ccnn1C1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
The InChIKey is SZURBPWXUKMJJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-15-4-2-3-5-18(15)20(26)23-19-6-10-22-25(19)17-7-11-24(12-8-17)21(27)16-9-13-28-14-16/h2-6,9-10,13-14,17H,7-8,11-12H2,1H3,(H,23,26).
What are the key properties of N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide?
N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide has a molecular weight of 378.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(furan-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]-2-methylbenzamide is sourced from PubChem (CID 24791034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).