(3R)-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

C21H27N7O5S — CID 51392165

IUPAC(3R)-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCCn1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C21H27N7O5S/c1-3-27-14-18(19(25-27)21(30)22-10-16-7-5-9-33-16)24-20(29)15-6-4-8-28(12-15)34(31,32)17-11-23-26(2)13-17/h5,7,9,11,13-15H,3-4,6,8,10,12H2,1-2H3,(H,22,30)(H,24,29)/t15-/m1/s1
InChIKeyOHLLCOUKIXZSSF-OAHLLOKOSA-N
MW489.56 g/mol
LogP1.20
Rot. Bonds8

About (3R)-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide

(3R)-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 51392165) has the molecular formula C21H27N7O5S and a molecular weight of 489.56 g/mol. Its IUPAC name is (3R)-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID51392165
Molecular FormulaC21H27N7O5S
Molecular Weight489.56 g/mol
Exact Mass489.18
IUPAC Name(3R)-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCCn1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)c(C(=O)NCc2ccco2)n1
InChIInChI=1S/C21H27N7O5S/c1-3-27-14-18(19(25-27)21(30)22-10-16-7-5-9-33-16)24-20(29)15-6-4-8-28(12-15)34(31,32)17-11-23-26(2)13-17/h5,7,9,11,13-15H,3-4,6,8,10,12H2,1-2H3,(H,22,30)(H,24,29)/t15-/m1/s1
InChIKeyOHLLCOUKIXZSSF-OAHLLOKOSA-N
XLogP1.20
TPSA144.36 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

(3S)-N-[2-(furan-2-ylmethylcarbamoyl)phenyl]-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 125073677
3-[[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]carbamoyl]bicyclo[2.2.1]heptane-2-carboxylic acid
CID 17373864
(3R)-1-(1-ethylimidazol-4-yl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 95073316
1-ethyl-N-(furan-2-ylmethyl)-4-[(2-methylpyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19475701
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide
CID 17025141
1-(4-ethoxyphenyl)sulfonyl-N-(furan-2-ylmethyl)piperidine-3-carboxamide
CID 2988575
(3R)-N-(furan-2-ylmethyl)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 1456683
4-[3-(4-bromopyrazol-1-yl)propanoylamino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19561846
1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
CID 19416100
1-ethyl-N-(furan-2-ylmethyl)-4-[(1-methyl-4-nitropyrazole-3-carbonyl)amino]pyrazole-3-carboxamide
CID 19264021
1-ethyl-N-(furan-2-ylmethyl)-4-[(2-methylbenzoyl)amino]pyrazole-3-carboxamide
CID 19400381
4-[(2-bromobenzoyl)amino]-1-ethyl-N-(furan-2-ylmethyl)pyrazole-3-carboxamide
CID 19400207

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 51392165) is (3R)-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is CCn1cc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cnn(C)c3)C2)c(C(=O)NCc2ccco2)n1.
What is the InChIKey of (3R)-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is OHLLCOUKIXZSSF-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H27N7O5S/c1-3-27-14-18(19(25-27)21(30)22-10-16-7-5-9-33-16)24-20(29)15-6-4-8-28(12-15)34(31,32)17-11-23-26(2)13-17/h5,7,9,11,13-15H,3-4,6,8,10,12H2,1-2H3,(H,22,30)(H,24,29)/t15-/m1/s1.
What are the key properties of (3R)-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide?
(3R)-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 489.56 g/mol, XLogP of 1.20, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[1-ethyl-3-(furan-2-ylmethylcarbamoyl)pyrazol-4-yl]-1-(1-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 51392165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).