(3R)-1-[(2-methylpyrazole-3-carbonyl)carbamothioyl]piperidine-3-carboxamide

C12H17N5O2S — CID 7027365

IUPAC(3R)-1-[(2-methylpyrazole-3-carbonyl)carbamothioyl]piperidine-3-carboxamide
SMILESCn1nccc1C(=O)NC(=S)N1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C12H17N5O2S/c1-16-9(4-5-14-16)11(19)15-12(20)17-6-2-3-8(7-17)10(13)18/h4-5,8H,2-3,6-7H2,1H3,(H2,13,18)(H,15,19,20)/t8-/m1/s1
InChIKeyWXKHWSTXALGUNS-MRVPVSSYSA-N
MW295.37 g/mol
LogP-0.37
Rot. Bonds2

About (3R)-1-[(2-methylpyrazole-3-carbonyl)carbamothioyl]piperidine-3-carboxamide

(3R)-1-[(2-methylpyrazole-3-carbonyl)carbamothioyl]piperidine-3-carboxamide (PubChem CID 7027365) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is (3R)-1-[(2-methylpyrazole-3-carbonyl)carbamothioyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[(2-methylpyrazole-3-carbonyl)carbamothioyl]piperidine-3-carboxamide
PubChem CID7027365
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name(3R)-1-[(2-methylpyrazole-3-carbonyl)carbamothioyl]piperidine-3-carboxamide
SMILESCn1nccc1C(=O)NC(=S)N1CCC[C@@H](C(N)=O)C1
InChIInChI=1S/C12H17N5O2S/c1-16-9(4-5-14-16)11(19)15-12(20)17-6-2-3-8(7-17)10(13)18/h4-5,8H,2-3,6-7H2,1H3,(H2,13,18)(H,15,19,20)/t8-/m1/s1
InChIKeyWXKHWSTXALGUNS-MRVPVSSYSA-N
XLogP-0.37
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 43664914
2-methyl-N-(2-oxo-2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 95043723
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone
CID 61297196
(3-aminopiperidin-1-yl)-(2-methylpyrazol-3-yl)methanone;hydrochloride
CID 119379296
(3S)-1-[(2-methylphenyl)carbamothioyl]piperidine-3-carboxamide
CID 8628888
1-[(3-chloro-1-benzothiophene-2-carbonyl)carbamothioyl]piperidine-3-carboxamide
CID 23904003
1-(hydrazinecarbonyl)piperidine-3-carboxamide
CID 43164061
(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917576
(3R)-1-[(4-butylphenyl)carbamothioyl]piperidine-3-carboxamide
CID 8628911
(3R)-1-[(Z)-2-benzamido-3-(2-chloro-3-pyridinyl)prop-2-enoyl]piperidine-3-carboxamide
CID 125117810
2-methyl-N'-(2-methylpyrazole-3-carbonyl)pyrazole-3-carbohydrazide
CID 899926
(3R)-1-N-[2-(4,6-dimethylpyrimidin-2-yl)pyrazol-3-yl]piperidine-1,3-dicarboxamide
CID 124735992

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2-methylpyrazole-3-carbonyl)carbamothioyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[(2-methylpyrazole-3-carbonyl)carbamothioyl]piperidine-3-carboxamide (CID 7027365) is (3R)-1-[(2-methylpyrazole-3-carbonyl)carbamothioyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[(2-methylpyrazole-3-carbonyl)carbamothioyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[(2-methylpyrazole-3-carbonyl)carbamothioyl]piperidine-3-carboxamide is Cn1nccc1C(=O)NC(=S)N1CCC[C@@H](C(N)=O)C1.
What is the InChIKey of (3R)-1-[(2-methylpyrazole-3-carbonyl)carbamothioyl]piperidine-3-carboxamide?
The InChIKey is WXKHWSTXALGUNS-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-16-9(4-5-14-16)11(19)15-12(20)17-6-2-3-8(7-17)10(13)18/h4-5,8H,2-3,6-7H2,1H3,(H2,13,18)(H,15,19,20)/t8-/m1/s1.
What are the key properties of (3R)-1-[(2-methylpyrazole-3-carbonyl)carbamothioyl]piperidine-3-carboxamide?
(3R)-1-[(2-methylpyrazole-3-carbonyl)carbamothioyl]piperidine-3-carboxamide has a molecular weight of 295.37 g/mol, XLogP of -0.37, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2-methylpyrazole-3-carbonyl)carbamothioyl]piperidine-3-carboxamide is sourced from PubChem (CID 7027365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).