methyl 1-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazole-5-carboxylate

C13H20N4O5S — CID 19342316

IUPACmethyl 1-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)C2CCN(S(C)(=O)=O)CC2)cnn1C
InChIInChI=1S/C13H20N4O5S/c1-16-11(13(19)22-2)10(8-14-16)15-12(18)9-4-6-17(7-5-9)23(3,20)21/h8-9H,4-7H2,1-3H3,(H,15,18)
InChIKeyNRSVEIQMNDQKGP-UHFFFAOYSA-N
MW344.39 g/mol
LogP-0.18
Rot. Bonds4

About methyl 1-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazole-5-carboxylate

methyl 1-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazole-5-carboxylate (PubChem CID 19342316) has the molecular formula C13H20N4O5S and a molecular weight of 344.39 g/mol. Its IUPAC name is methyl 1-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazole-5-carboxylate
PubChem CID19342316
Molecular FormulaC13H20N4O5S
Molecular Weight344.39 g/mol
Exact Mass344.12
IUPAC Namemethyl 1-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazole-5-carboxylate
SMILESCOC(=O)c1c(NC(=O)C2CCN(S(C)(=O)=O)CC2)cnn1C
InChIInChI=1S/C13H20N4O5S/c1-16-11(13(19)22-2)10(8-14-16)15-12(18)9-4-6-17(7-5-9)23(3,20)21/h8-9H,4-7H2,1-3H3,(H,15,18)
InChIKeyNRSVEIQMNDQKGP-UHFFFAOYSA-N
XLogP-0.18
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 5-0.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 19399779
N-(2,5-dimethylpyrazol-3-yl)-1-methylsulfonylpiperidine-4-carboxamide
CID 47025765
N-(2-bromophenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 2192347
N-(2-methoxy-5-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 893526
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 19469142
N-[2-(dimethylamino)pyrimidin-5-yl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122297890
4-(cyclopropanecarbonylamino)-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396172
N-[2-(dimethylamino)phenyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 30875404
1-methylsulfonyl-N-(2-phenoxyphenyl)piperidine-4-carboxamide
CID 2991510
N-(4-carbamoylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 1081285
butyl 4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]benzoate
CID 45372259
N-(2-chloro-4-methylphenyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 17469903

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazole-5-carboxylate?
The IUPAC name of methyl 1-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazole-5-carboxylate (CID 19342316) is methyl 1-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazole-5-carboxylate is COC(=O)c1c(NC(=O)C2CCN(S(C)(=O)=O)CC2)cnn1C.
What is the InChIKey of methyl 1-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazole-5-carboxylate?
The InChIKey is NRSVEIQMNDQKGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O5S/c1-16-11(13(19)22-2)10(8-14-16)15-12(18)9-4-6-17(7-5-9)23(3,20)21/h8-9H,4-7H2,1-3H3,(H,15,18).
What are the key properties of methyl 1-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazole-5-carboxylate?
methyl 1-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazole-5-carboxylate has a molecular weight of 344.39 g/mol, XLogP of -0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[(1-methylsulfonylpiperidine-4-carbonyl)amino]pyrazole-5-carboxylate is sourced from PubChem (CID 19342316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).