1-[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide

C23H22FN5O3 — CID 1267979

IUPAC1-[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C23H22FN5O3/c24-19-9-5-4-8-17(19)22(31)27-21-18(14-26-29(21)16-6-2-1-3-7-16)23(32)28-12-10-15(11-13-28)20(25)30/h1-9,14-15H,10-13H2,(H2,25,30)(H,27,31)
InChIKeyOPNXKQYSIVHRIP-UHFFFAOYSA-N
MW435.46 g/mol
LogP2.60
Rot. Bonds5

About 1-[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide

1-[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide (PubChem CID 1267979) has the molecular formula C23H22FN5O3 and a molecular weight of 435.46 g/mol. Its IUPAC name is 1-[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide
PubChem CID1267979
Molecular FormulaC23H22FN5O3
Molecular Weight435.46 g/mol
Exact Mass435.17
IUPAC Name1-[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)CC1
InChIInChI=1S/C23H22FN5O3/c24-19-9-5-4-8-17(19)22(31)27-21-18(14-26-29(21)16-6-2-1-3-7-16)23(32)28-12-10-15(11-13-28)20(25)30/h1-9,14-15H,10-13H2,(H2,25,30)(H,27,31)
InChIKeyOPNXKQYSIVHRIP-UHFFFAOYSA-N
XLogP2.60
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.46
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide?
The IUPAC name of 1-[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide (CID 1267979) is 1-[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide?
The InChIKey is OPNXKQYSIVHRIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O3/c24-19-9-5-4-8-17(19)22(31)27-21-18(14-26-29(21)16-6-2-1-3-7-16)23(32)28-12-10-15(11-13-28)20(25)30/h1-9,14-15H,10-13H2,(H2,25,30)(H,27,31).
What are the key properties of 1-[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide?
1-[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide has a molecular weight of 435.46 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-fluorobenzoyl)amino]-1-phenylpyrazole-4-carbonyl]piperidine-4-carboxamide is sourced from PubChem (CID 1267979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).