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

C22H25FN6O2 — CID 92636802

IUPACN-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)N2CCC(Cc3nn(C)cc3C(=O)Nc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C22H25FN6O2/c1-27-13-16(12-24-27)22(31)29-9-7-15(8-10-29)11-20-19(14-28(2)26-20)21(30)25-18-5-3-17(23)4-6-18/h3-6,12-15H,7-11H2,1-2H3,(H,25,30)
InChIKeyWGXWLZWWECKKKV-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.64
Rot. Bonds5

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

N-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (PubChem CID 92636802) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
PubChem CID92636802
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC NameN-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
SMILESCn1cc(C(=O)N2CCC(Cc3nn(C)cc3C(=O)Nc3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C22H25FN6O2/c1-27-13-16(12-24-27)22(31)29-9-7-15(8-10-29)11-20-19(14-28(2)26-20)21(30)25-18-5-3-17(23)4-6-18/h3-6,12-15H,7-11H2,1-2H3,(H,25,30)
InChIKeyWGXWLZWWECKKKV-UHFFFAOYSA-N
XLogP2.64
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-1-methyl-3-[[1-(pyridine-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 95815275
N-(4-fluorophenyl)-1-methyl-3-[[1-(5-methylpyrazine-2-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637540
3-[[1-(2-cyclopentylacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 92636806
3-[[1-(2-acetamidoacetyl)piperidin-4-yl]methyl]-N-(4-fluorophenyl)-1-methylpyrazole-4-carboxamide
CID 92636807
N-(4-fluorophenyl)-2-[4-(1-methylpyrazole-4-carbonyl)piperazin-1-yl]acetamide
CID 17491366
3-[[1-(2-methoxy-2-methylpropanoyl)piperidin-4-yl]methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 92637470
N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[(2R)-oxolane-2-carbonyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637458
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306
3-[(1-ethylsulfonylpiperidin-4-yl)methyl]-N-(4-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 92638029
N-(4-fluorophenyl)-4-[[1-[(2S)-spiro[2.3]hexane-2-carbonyl]piperidin-4-yl]methyl]pyrimidine-5-carboxamide
CID 92637846
N-[(4-fluorophenyl)methyl]-1-methyl-3-[[1-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-4-yl]methyl]pyrazole-4-carboxamide
CID 92637592
[6-[(4-fluorophenyl)methyl]-1,4-oxazepan-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 102604337

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide (CID 92636802) is N-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is Cn1cc(C(=O)N2CCC(Cc3nn(C)cc3C(=O)Nc3ccc(F)cc3)CC2)cn1.
What is the InChIKey of N-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
The InChIKey is WGXWLZWWECKKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-27-13-16(12-24-27)22(31)29-9-7-15(8-10-29)11-20-19(14-28(2)26-20)21(30)25-18-5-3-17(23)4-6-18/h3-6,12-15H,7-11H2,1-2H3,(H,25,30).
What are the key properties of N-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide?
N-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1-methyl-3-[[1-(1-methylpyrazole-4-carbonyl)piperidin-4-yl]methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 92636802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).