1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea

C18H25N5O3S — CID 75474634

IUPAC1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea
SMILESCCNC(=O)Nc1cn[nH]c1C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C18H25N5O3S/c1-3-19-18(24)21-16-11-20-22-17(16)14-5-4-10-23(12-14)27(25,26)15-8-6-13(2)7-9-15/h6-9,11,14H,3-5,10,12H2,1-2H3,(H,20,22)(H2,19,21,24)
InChIKeyVERSMOIZBOVMDK-UHFFFAOYSA-N
MW391.50 g/mol
LogP2.43
Rot. Bonds5

About 1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea

1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea (PubChem CID 75474634) has the molecular formula C18H25N5O3S and a molecular weight of 391.50 g/mol. Its IUPAC name is 1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea
PubChem CID75474634
Molecular FormulaC18H25N5O3S
Molecular Weight391.50 g/mol
Exact Mass391.17
IUPAC Name1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea
SMILESCCNC(=O)Nc1cn[nH]c1C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1
InChIInChI=1S/C18H25N5O3S/c1-3-19-18(24)21-16-11-20-22-17(16)14-5-4-10-23(12-14)27(25,26)15-8-6-13(2)7-9-15/h6-9,11,14H,3-5,10,12H2,1-2H3,(H,20,22)(H2,19,21,24)
InChIKeyVERSMOIZBOVMDK-UHFFFAOYSA-N
XLogP2.43
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.50
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(3R)-1-butylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea
CID 97344690
[5-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 124982796
1-ethyl-3-[5-[1-(2-phenylethyl)piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474474
1-ethyl-3-[5-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474473
N-(5-cyclopropyl-1H-pyrazol-4-yl)-1-ethylsulfonylpiperidine-3-carboxamide
CID 126834655
1-[5-[1-(6,7-difluoroquinazolin-4-yl)piperidin-3-yl]-1H-pyrazol-4-yl]-3-ethylurea
CID 154752212
1-ethyl-3-[5-[(3R)-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 97344399
N-[5-[(3R)-1-piperidin-1-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97344701
N-[5-[(3S)-1-pyridin-2-ylsulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]cyclopentanecarboxamide
CID 97344709
(3R)-1-(4-methylphenyl)sulfonyl-3-phenylpiperidine
CID 134848114
(3R)-1-(4-fluorophenyl)sulfonyl-N-(4-methylphenyl)piperidine-3-carboxamide
CID 40639334
(3S)-N-(3-methylbutyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 1081589

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea?
The IUPAC name of 1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea (CID 75474634) is 1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea.
What is the SMILES notation for 1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea?
The canonical SMILES for 1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea is CCNC(=O)Nc1cn[nH]c1C1CCCN(S(=O)(=O)c2ccc(C)cc2)C1.
What is the InChIKey of 1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea?
The InChIKey is VERSMOIZBOVMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S/c1-3-19-18(24)21-16-11-20-22-17(16)14-5-4-10-23(12-14)27(25,26)15-8-6-13(2)7-9-15/h6-9,11,14H,3-5,10,12H2,1-2H3,(H,20,22)(H2,19,21,24).
What are the key properties of 1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea?
1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea has a molecular weight of 391.50 g/mol, XLogP of 2.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea is sourced from PubChem (CID 75474634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).