1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide

C21H33N7O4S — CID 17025141

IUPAC1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide
SMILESCCn1cc(NC(=O)C2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C21H33N7O4S/c1-6-27-13-17(19(25-27)21(30)22-10-14(2)3)24-20(29)16-8-7-9-28(12-16)33(31,32)18-11-23-26(5)15(18)4/h11,13-14,16H,6-10,12H2,1-5H3,(H,22,30)(H,24,29)
InChIKeyKDSQLAYDQKBSJL-UHFFFAOYSA-N
MW479.61 g/mol
LogP1.37
Rot. Bonds8

About 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide

1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide (PubChem CID 17025141) has the molecular formula C21H33N7O4S and a molecular weight of 479.61 g/mol. Its IUPAC name is 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide
PubChem CID17025141
Molecular FormulaC21H33N7O4S
Molecular Weight479.61 g/mol
Exact Mass479.23
IUPAC Name1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide
SMILESCCn1cc(NC(=O)C2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)c(C(=O)NCC(C)C)n1
InChIInChI=1S/C21H33N7O4S/c1-6-27-13-17(19(25-27)21(30)22-10-14(2)3)24-20(29)16-8-7-9-28(12-16)33(31,32)18-11-23-26(5)15(18)4/h11,13-14,16H,6-10,12H2,1-5H3,(H,22,30)(H,24,29)
InChIKeyKDSQLAYDQKBSJL-UHFFFAOYSA-N
XLogP1.37
TPSA131.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(3R)-N-[2-(diethylamino)ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 51388846
(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide
CID 40822913
1-(benzenesulfonyl)-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-4-carboxamide
CID 19402676
[(3S)-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 51618591
(3R)-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 51392165
N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]-1-(4-nitrophenyl)sulfonylpiperidine-4-carboxamide
CID 19402674
(3S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-(1,5-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 124768210
(3R)-1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[(1-methylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 51388637
(3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide
CID 7026078
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 4776817
(3S)-N-[(1S)-1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 27527792
4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19410874

Frequently Asked Questions

What is the IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide?
The IUPAC name of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide (CID 17025141) is 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide?
The canonical SMILES for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide is CCn1cc(NC(=O)C2CCCN(S(=O)(=O)c3cnn(C)c3C)C2)c(C(=O)NCC(C)C)n1.
What is the InChIKey of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide?
The InChIKey is KDSQLAYDQKBSJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N7O4S/c1-6-27-13-17(19(25-27)21(30)22-10-14(2)3)24-20(29)16-8-7-9-28(12-16)33(31,32)18-11-23-26(5)15(18)4/h11,13-14,16H,6-10,12H2,1-5H3,(H,22,30)(H,24,29).
What are the key properties of 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide?
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide has a molecular weight of 479.61 g/mol, XLogP of 1.37, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 17025141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).