5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide

C20H23FN6O3S — CID 91628936

IUPAC5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)n[nH]2)CC1
InChIInChI=1S/C20H23FN6O3S/c1-12-19(13(2)24-23-12)31(29,30)27-9-7-14(8-10-27)17-11-18(26-25-17)20(28)22-16-6-4-3-5-15(16)21/h3-6,11,14H,7-10H2,1-2H3,(H,22,28)(H,23,24)(H,25,26)
InChIKeyPAFBEQQVUZWPFH-UHFFFAOYSA-N
MW446.51 g/mol
LogP2.71
Rot. Bonds5

About 5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide

5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide (PubChem CID 91628936) has the molecular formula C20H23FN6O3S and a molecular weight of 446.51 g/mol. Its IUPAC name is 5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide
PubChem CID91628936
Molecular FormulaC20H23FN6O3S
Molecular Weight446.51 g/mol
Exact Mass446.15
IUPAC Name5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)n[nH]2)CC1
InChIInChI=1S/C20H23FN6O3S/c1-12-19(13(2)24-23-12)31(29,30)27-9-7-14(8-10-27)17-11-18(26-25-17)20(28)22-16-6-4-3-5-15(16)21/h3-6,11,14H,7-10H2,1-2H3,(H,22,28)(H,23,24)(H,25,26)
InChIKeyPAFBEQQVUZWPFH-UHFFFAOYSA-N
XLogP2.71
TPSA123.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide (CID 91628936) is 5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide is Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(c2cc(C(=O)Nc3ccccc3F)n[nH]2)CC1.
What is the InChIKey of 5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide?
The InChIKey is PAFBEQQVUZWPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O3S/c1-12-19(13(2)24-23-12)31(29,30)27-9-7-14(8-10-27)17-11-18(26-25-17)20(28)22-16-6-4-3-5-15(16)21/h3-6,11,14H,7-10H2,1-2H3,(H,22,28)(H,23,24)(H,25,26).
What are the key properties of 5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide?
5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide has a molecular weight of 446.51 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]-N-(2-fluorophenyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91628936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).