4-[(3,5-difluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide

C16H17F2N5O2 — CID 59733332

IUPAC4-[(3,5-difluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)NC1CCNCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2N5O2/c17-10-5-9(6-11(18)7-10)15(24)22-13-8-20-23-14(13)16(25)21-12-1-3-19-4-2-12/h5-8,12,19H,1-4H2,(H,20,23)(H,21,25)(H,22,24)
InChIKeyNIHAFOURWLZLFN-UHFFFAOYSA-N
MW349.34 g/mol
LogP1.42
Rot. Bonds4

About 4-[(3,5-difluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide

4-[(3,5-difluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide (PubChem CID 59733332) has the molecular formula C16H17F2N5O2 and a molecular weight of 349.34 g/mol. Its IUPAC name is 4-[(3,5-difluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(3,5-difluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
PubChem CID59733332
Molecular FormulaC16H17F2N5O2
Molecular Weight349.34 g/mol
Exact Mass349.14
IUPAC Name4-[(3,5-difluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1cn[nH]c1C(=O)NC1CCNCC1)c1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2N5O2/c17-10-5-9(6-11(18)7-10)15(24)22-13-8-20-23-14(13)16(25)21-12-1-3-19-4-2-12/h5-8,12,19H,1-4H2,(H,20,23)(H,21,25)(H,22,24)
InChIKeyNIHAFOURWLZLFN-UHFFFAOYSA-N
XLogP1.42
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.34
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-difluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(3,5-difluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide (CID 59733332) is 4-[(3,5-difluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(3,5-difluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(3,5-difluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide is O=C(Nc1cn[nH]c1C(=O)NC1CCNCC1)c1cc(F)cc(F)c1.
What is the InChIKey of 4-[(3,5-difluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
The InChIKey is NIHAFOURWLZLFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N5O2/c17-10-5-9(6-11(18)7-10)15(24)22-13-8-20-23-14(13)16(25)21-12-1-3-19-4-2-12/h5-8,12,19H,1-4H2,(H,20,23)(H,21,25)(H,22,24).
What are the key properties of 4-[(3,5-difluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide?
4-[(3,5-difluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide has a molecular weight of 349.34 g/mol, XLogP of 1.42, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-difluorobenzoyl)amino]-N-piperidin-4-yl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59733332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).