N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide

C23H29FN4O3 — CID 92637458

IUPACN-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(C(=O)[C@H]3CCCO3)CC2)n1
InChIInChI=1S/C23H29FN4O3/c1-27-15-19(22(29)25-14-17-4-6-18(24)7-5-17)20(26-27)13-16-8-10-28(11-9-16)23(30)21-3-2-12-31-21/h4-7,15-16,21H,2-3,8-14H2,1H3,(H,25,29)/t21-/m1/s1
InChIKeyAELULXBXHAAQBP-OAQYLSRUSA-N
MW428.51 g/mol
LogP2.45
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide

N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide (PubChem CID 92637458) has the molecular formula C23H29FN4O3 and a molecular weight of 428.51 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
PubChem CID92637458
Molecular FormulaC23H29FN4O3
Molecular Weight428.51 g/mol
Exact Mass428.22
IUPAC NameN-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(C(=O)[C@H]3CCCO3)CC2)n1
InChIInChI=1S/C23H29FN4O3/c1-27-15-19(22(29)25-14-17-4-6-18(24)7-5-17)20(26-27)13-16-8-10-28(11-9-16)23(30)21-3-2-12-31-21/h4-7,15-16,21H,2-3,8-14H2,1H3,(H,25,29)/t21-/m1/s1
InChIKeyAELULXBXHAAQBP-OAQYLSRUSA-N
XLogP2.45
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.51
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide with MolForge

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Related Compounds

N-benzyl-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637454
N-[(4-fluorophenyl)methyl]-1-(oxolane-2-carbonyl)piperidine-4-carboxamide
CID 113004216
N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637592
N-[(4-fluorophenyl)methyl]-3-[1-(oxolane-2-carbonyl)piperidin-4-yl]propanamide
CID 45246303
N-[(4-fluorophenyl)methyl]-N'-methyl-4-(oxolane-2-carbonyl)piperazine-1-carboximidamide;hydroiodide
CID 111300430
N-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92636802
N-benzyl-1-methyl-3-[[1-(2-phenylethyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637488
3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 92636806
N-(4-fluorophenyl)-1-methyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 95815275
3-[[1-(2-acetamidoacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 92636807
[4-[(4-fluorophenoxy)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 110639052
N-[(4-methylphenyl)methyl]-4-(oxolane-2-carbonyl)piperazine-1-carboxamide
CID 43053198

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide (CID 92637458) is N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide is Cn1cc(C(=O)NCc2ccc(F)cc2)c(CC2CCN(C(=O)[C@H]3CCCO3)CC2)n1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is AELULXBXHAAQBP-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H29FN4O3/c1-27-15-19(22(29)25-14-17-4-6-18(24)7-5-17)20(26-27)13-16-8-10-28(11-9-16)23(30)21-3-2-12-31-21/h4-7,15-16,21H,2-3,8-14H2,1H3,(H,25,29)/t21-/m1/s1.
What are the key properties of N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide?
N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 428.51 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 92637458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).