4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide

C18H21F2N5O2 — CID 24889469

IUPAC4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCCC(CNC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C18H21F2N5O2/c1-25-7-3-4-11(10-25)8-21-18(27)16-14(9-22-24-16)23-17(26)15-12(19)5-2-6-13(15)20/h2,5-6,9,11H,3-4,7-8,10H2,1H3,(H,21,27)(H,22,24)(H,23,26)
InChIKeyVOIGRUODWJTCLD-UHFFFAOYSA-N
MW377.40 g/mol
LogP2.01
Rot. Bonds5

About 4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide

4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 24889469) has the molecular formula C18H21F2N5O2 and a molecular weight of 377.40 g/mol. Its IUPAC name is 4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID24889469
Molecular FormulaC18H21F2N5O2
Molecular Weight377.40 g/mol
Exact Mass377.17
IUPAC Name4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCN1CCCC(CNC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)C1
InChIInChI=1S/C18H21F2N5O2/c1-25-7-3-4-11(10-25)8-21-18(27)16-14(9-22-24-16)23-17(26)15-12(19)5-2-6-13(15)20/h2,5-6,9,11H,3-4,7-8,10H2,1H3,(H,21,27)(H,22,24)(H,23,26)
InChIKeyVOIGRUODWJTCLD-UHFFFAOYSA-N
XLogP2.01
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide (CID 24889469) is 4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide is CN1CCCC(CNC(=O)c2[nH]ncc2NC(=O)c2c(F)cccc2F)C1.
What is the InChIKey of 4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is VOIGRUODWJTCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O2/c1-25-7-3-4-11(10-25)8-21-18(27)16-14(9-22-24-16)23-17(26)15-12(19)5-2-6-13(15)20/h2,5-6,9,11H,3-4,7-8,10H2,1H3,(H,21,27)(H,22,24)(H,23,26).
What are the key properties of 4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide?
4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 377.40 g/mol, XLogP of 2.01, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorobenzoyl)amino]-N-[(1-methylpiperidin-3-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24889469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).