[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

C14H19N5O3S — CID 110272338

IUPAC[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC1(c2[nH]ncc2S(C)(=O)=O)CCCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C14H19N5O3S/c1-14(12-11(8-16-18-12)23(2,21)22)5-3-7-19(9-14)13(20)10-4-6-15-17-10/h4,6,8H,3,5,7,9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyGWZGDRZWMYDNPF-UHFFFAOYSA-N
MW337.41 g/mol
LogP0.73
Rot. Bonds3

About [3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone

[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (PubChem CID 110272338) has the molecular formula C14H19N5O3S and a molecular weight of 337.41 g/mol. Its IUPAC name is [3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Name[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
PubChem CID110272338
Molecular FormulaC14H19N5O3S
Molecular Weight337.41 g/mol
Exact Mass337.12
IUPAC Name[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
SMILESCC1(c2[nH]ncc2S(C)(=O)=O)CCCN(C(=O)c2ccn[nH]2)C1
InChIInChI=1S/C14H19N5O3S/c1-14(12-11(8-16-18-12)23(2,21)22)5-3-7-19(9-14)13(20)10-4-6-15-17-10/h4,6,8H,3,5,7,9H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyGWZGDRZWMYDNPF-UHFFFAOYSA-N
XLogP0.73
TPSA111.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.41
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-phenylmethanone
CID 110272344
2-[(3R)-3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]acetamide
CID 125000035
4-[[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]phenol
CID 110272355
(3-hydroxy-3-methylpyrrolidin-1-yl)-(1H-pyrazol-5-yl)methanone
CID 103727095
3-ethyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 55165492
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 120808347
5-[3-methyl-1-(2-methylpyrazole-3-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 110272365
3-propyl-1-(1H-pyrazole-5-carbonyl)piperidine-3-carboxylic acid
CID 63138175
[(3S)-3-methyl-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 95848592
5-[(3S)-3-methyl-1-(pyrazine-2-carbonyl)piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 95848569
(2-aminospiro[5,6-dihydrocyclopenta[d]pyrimidine-7,3'-piperidine]-1'-yl)-(1H-pyrazol-5-yl)methanone
CID 163315511
(4-amino-3,3-dimethylpiperidin-1-yl)-(1H-pyrazol-5-yl)methanone;hydrochloride
CID 120818433

Frequently Asked Questions

What is the IUPAC name of [3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The IUPAC name of [3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone (CID 110272338) is [3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone.
What is the SMILES notation for [3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The canonical SMILES for [3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is CC1(c2[nH]ncc2S(C)(=O)=O)CCCN(C(=O)c2ccn[nH]2)C1.
What is the InChIKey of [3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
The InChIKey is GWZGDRZWMYDNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O3S/c1-14(12-11(8-16-18-12)23(2,21)22)5-3-7-19(9-14)13(20)10-4-6-15-17-10/h4,6,8H,3,5,7,9H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of [3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone?
[3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone has a molecular weight of 337.41 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-3-(4-methylsulfonyl-1H-pyrazol-5-yl)piperidin-1-yl]-(1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 110272338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).