N-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide

C17H21FN4O3S — CID 51964813

IUPACN-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2ccc(F)cc2)C1
InChIInChI=1S/C17H21FN4O3S/c1-26(24,25)20-9-12-3-2-8-22(11-12)17(23)15-10-19-21-16(15)13-4-6-14(18)7-5-13/h4-7,10,12,20H,2-3,8-9,11H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyMOWBYAQQQNORLD-LBPRGKRZSA-N
MW380.45 g/mol
LogP1.62
Rot. Bonds5

About N-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide

N-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide (PubChem CID 51964813) has the molecular formula C17H21FN4O3S and a molecular weight of 380.45 g/mol. Its IUPAC name is N-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
PubChem CID51964813
Molecular FormulaC17H21FN4O3S
Molecular Weight380.45 g/mol
Exact Mass380.13
IUPAC NameN-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide
SMILESCS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2ccc(F)cc2)C1
InChIInChI=1S/C17H21FN4O3S/c1-26(24,25)20-9-12-3-2-8-22(11-12)17(23)15-10-19-21-16(15)13-4-6-14(18)7-5-13/h4-7,10,12,20H,2-3,8-9,11H2,1H3,(H,19,21)/t12-/m0/s1
InChIKeyMOWBYAQQQNORLD-LBPRGKRZSA-N
XLogP1.62
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The IUPAC name of N-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide (CID 51964813) is N-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide.
What is the SMILES notation for N-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The canonical SMILES for N-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide is CS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2cn[nH]c2-c2ccc(F)cc2)C1.
What is the InChIKey of N-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
The InChIKey is MOWBYAQQQNORLD-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21FN4O3S/c1-26(24,25)20-9-12-3-2-8-22(11-12)17(23)15-10-19-21-16(15)13-4-6-14(18)7-5-13/h4-7,10,12,20H,2-3,8-9,11H2,1H3,(H,19,21)/t12-/m0/s1.
What are the key properties of N-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide?
N-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide has a molecular weight of 380.45 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-[5-(4-fluorophenyl)-1H-pyrazole-4-carbonyl]piperidin-3-yl]methyl]methanesulfonamide is sourced from PubChem (CID 51964813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).