[3-(4-methylphenyl)thiomorpholin-4-yl]-[5-(1-methylpyrrolidin-2-yl)-1H-pyrazol-3-yl]methanone

C20H26N4OS — CID 166253153

IUPAC[3-(4-methylphenyl)thiomorpholin-4-yl]-[5-(1-methylpyrrolidin-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCc1ccc(C2CSCCN2C(=O)c2cc(C3CCCN3C)[nH]n2)cc1
InChIInChI=1S/C20H26N4OS/c1-14-5-7-15(8-6-14)19-13-26-11-10-24(19)20(25)17-12-16(21-22-17)18-4-3-9-23(18)2/h5-8,12,18-19H,3-4,9-11,13H2,1-2H3,(H,21,22)
InChIKeyUKHUUFCTVLKYTO-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.42
Rot. Bonds3

About [3-(4-methylphenyl)thiomorpholin-4-yl]-[5-(1-methylpyrrolidin-2-yl)-1H-pyrazol-3-yl]methanone

[3-(4-methylphenyl)thiomorpholin-4-yl]-[5-(1-methylpyrrolidin-2-yl)-1H-pyrazol-3-yl]methanone (PubChem CID 166253153) has the molecular formula C20H26N4OS and a molecular weight of 370.52 g/mol. Its IUPAC name is [3-(4-methylphenyl)thiomorpholin-4-yl]-[5-(1-methylpyrrolidin-2-yl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[3-(4-methylphenyl)thiomorpholin-4-yl]-[5-(1-methylpyrrolidin-2-yl)-1H-pyrazol-3-yl]methanone
PubChem CID166253153
Molecular FormulaC20H26N4OS
Molecular Weight370.52 g/mol
Exact Mass370.18
IUPAC Name[3-(4-methylphenyl)thiomorpholin-4-yl]-[5-(1-methylpyrrolidin-2-yl)-1H-pyrazol-3-yl]methanone
SMILESCc1ccc(C2CSCCN2C(=O)c2cc(C3CCCN3C)[nH]n2)cc1
InChIInChI=1S/C20H26N4OS/c1-14-5-7-15(8-6-14)19-13-26-11-10-24(19)20(25)17-12-16(21-22-17)18-4-3-9-23(18)2/h5-8,12,18-19H,3-4,9-11,13H2,1-2H3,(H,21,22)
InChIKeyUKHUUFCTVLKYTO-UHFFFAOYSA-N
XLogP3.42
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
CID 166252601
[6-[2-(4-methylphenyl)pyrrolidine-1-carbonyl]-2-pyridinyl]-[2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 43070750
(3-aminocyclopentyl)-[3-(4-methylphenyl)thiomorpholin-4-yl]methanone
CID 119788984
N-(2-bromo-4-methylphenyl)-3-(4-methylphenyl)thiomorpholine-4-carboxamide
CID 167970093
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856580
[5-(furan-2-yl)-1,2-oxazol-3-yl]-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 51856579
N-[4-[2-(dimethylamino)ethyl]phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
CID 127267310
5-(1-methylpyrrolidin-2-yl)-N-(2-pyridin-2-ylethyl)-1H-pyrazole-3-carboxamide
CID 126824398
N-(4-hydroxycyclohexyl)-3-(4-methylphenyl)thiomorpholine-4-carboxamide
CID 111422860
N-[5-cyano-2-(ethylamino)phenyl]-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
CID 166253188
N-(4-chloro-1H-benzimidazol-2-yl)-5-(1-methylpyrrolidin-2-yl)-1H-pyrazole-3-carboxamide
CID 167891189
(5-ethyl-1,2-oxazol-3-yl)-[(2S)-2-(4-methylphenyl)pyrrolidin-1-yl]methanone
CID 92736228

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylphenyl)thiomorpholin-4-yl]-[5-(1-methylpyrrolidin-2-yl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [3-(4-methylphenyl)thiomorpholin-4-yl]-[5-(1-methylpyrrolidin-2-yl)-1H-pyrazol-3-yl]methanone (CID 166253153) is [3-(4-methylphenyl)thiomorpholin-4-yl]-[5-(1-methylpyrrolidin-2-yl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [3-(4-methylphenyl)thiomorpholin-4-yl]-[5-(1-methylpyrrolidin-2-yl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [3-(4-methylphenyl)thiomorpholin-4-yl]-[5-(1-methylpyrrolidin-2-yl)-1H-pyrazol-3-yl]methanone is Cc1ccc(C2CSCCN2C(=O)c2cc(C3CCCN3C)[nH]n2)cc1.
What is the InChIKey of [3-(4-methylphenyl)thiomorpholin-4-yl]-[5-(1-methylpyrrolidin-2-yl)-1H-pyrazol-3-yl]methanone?
The InChIKey is UKHUUFCTVLKYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4OS/c1-14-5-7-15(8-6-14)19-13-26-11-10-24(19)20(25)17-12-16(21-22-17)18-4-3-9-23(18)2/h5-8,12,18-19H,3-4,9-11,13H2,1-2H3,(H,21,22).
What are the key properties of [3-(4-methylphenyl)thiomorpholin-4-yl]-[5-(1-methylpyrrolidin-2-yl)-1H-pyrazol-3-yl]methanone?
[3-(4-methylphenyl)thiomorpholin-4-yl]-[5-(1-methylpyrrolidin-2-yl)-1H-pyrazol-3-yl]methanone has a molecular weight of 370.52 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylphenyl)thiomorpholin-4-yl]-[5-(1-methylpyrrolidin-2-yl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 166253153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).