(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide

C18H27N7O4S — CID 40822913

IUPAC(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide
SMILESCCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cn(C)nc3C(=O)NC)C2)c(C)n1
InChIInChI=1S/C18H27N7O4S/c1-5-24-11-15(12(2)21-24)30(28,29)25-8-6-7-13(9-25)17(26)20-14-10-23(4)22-16(14)18(27)19-3/h10-11,13H,5-9H2,1-4H3,(H,19,27)(H,20,26)/t13-/m1/s1
InChIKeyOAXVDHLZDNXZBT-CYBMUJFWSA-N
MW437.53 g/mol
LogP0.34
Rot. Bonds6

About (3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide

(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide (PubChem CID 40822913) has the molecular formula C18H27N7O4S and a molecular weight of 437.53 g/mol. Its IUPAC name is (3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide
PubChem CID40822913
Molecular FormulaC18H27N7O4S
Molecular Weight437.53 g/mol
Exact Mass437.18
IUPAC Name(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide
SMILESCCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cn(C)nc3C(=O)NC)C2)c(C)n1
InChIInChI=1S/C18H27N7O4S/c1-5-24-11-15(12(2)21-24)30(28,29)25-8-6-7-13(9-25)17(26)20-14-10-23(4)22-16(14)18(27)19-3/h10-11,13H,5-9H2,1-4H3,(H,19,27)(H,20,26)/t13-/m1/s1
InChIKeyOAXVDHLZDNXZBT-CYBMUJFWSA-N
XLogP0.34
TPSA131.22 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.53
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(3S)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carbohydrazide
CID 7026078
1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[(1-ethylpyrazol-3-yl)methyl]piperidine-3-carboxamide
CID 17022331
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
N-[(4-bromo-1-ethylpyrazol-3-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 17023425
1-(1,5-dimethylpyrazol-4-yl)sulfonyl-N-[1-ethyl-3-(2-methylpropylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide
CID 17025141
4-(cyclohexanecarbonylamino)-1-ethyl-N-methylpyrazole-3-carboxamide
CID 19410874
[1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-[4-[(1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methanone
CID 19583677
N-[(4-chloro-1-ethylpyrazol-5-yl)methyl]-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 17023494
(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7017717
(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7026133
(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-3-carboxamide
CID 92626936

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide (CID 40822913) is (3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide is CCn1cc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cn(C)nc3C(=O)NC)C2)c(C)n1.
What is the InChIKey of (3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide?
The InChIKey is OAXVDHLZDNXZBT-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H27N7O4S/c1-5-24-11-15(12(2)21-24)30(28,29)25-8-6-7-13(9-25)17(26)20-14-10-23(4)22-16(14)18(27)19-3/h10-11,13H,5-9H2,1-4H3,(H,19,27)(H,20,26)/t13-/m1/s1.
What are the key properties of (3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide?
(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide has a molecular weight of 437.53 g/mol, XLogP of 0.34, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-N-[1-methyl-3-(methylcarbamoyl)pyrazol-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 40822913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).