N-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide

C15H24N4OS — CID 129476053

IUPACN-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide
SMILESC[C@@]1(CNC(=O)c2ccn([C@@H]3CCCNC3)n2)CCCS1
InChIInChI=1S/C15H24N4OS/c1-15(6-3-9-21-15)11-17-14(20)13-5-8-19(18-13)12-4-2-7-16-10-12/h5,8,12,16H,2-4,6-7,9-11H2,1H3,(H,17,20)/t12-,15+/m1/s1
InChIKeySBPKLAGAEHOWQL-DOMZBBRYSA-N
MW308.45 g/mol
LogP1.82
Rot. Bonds4

About N-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide

N-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 129476053) has the molecular formula C15H24N4OS and a molecular weight of 308.45 g/mol. Its IUPAC name is N-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID129476053
Molecular FormulaC15H24N4OS
Molecular Weight308.45 g/mol
Exact Mass308.17
IUPAC NameN-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide
SMILESC[C@@]1(CNC(=O)c2ccn([C@@H]3CCCNC3)n2)CCCS1
InChIInChI=1S/C15H24N4OS/c1-15(6-3-9-21-15)11-17-14(20)13-5-8-19(18-13)12-4-2-7-16-10-12/h5,8,12,16H,2-4,6-7,9-11H2,1H3,(H,17,20)/t12-,15+/m1/s1
InChIKeySBPKLAGAEHOWQL-DOMZBBRYSA-N
XLogP1.82
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.45
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(3S)-piperidin-3-yl]pyrazole-3-carboxamide
CID 129330943
1-piperidin-3-yl-N-(thiophen-3-ylmethyl)pyrazole-3-carboxamide;hydrochloride
CID 128997121
N-[(6-oxo-1H-pyridin-3-yl)methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide
CID 129476176
1-piperidin-3-yl-N-[2-(1,3-thiazol-2-yl)ethyl]pyrazole-3-carboxamide;hydrochloride
CID 129001736
1-piperidin-3-yl-N-[2-(1,3-thiazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 128995991
N-[(1-aminocycloheptyl)methyl]-1-cyclohexylpyrazole-3-carboxamide
CID 154577373
N-[(3R)-2-oxoazepan-3-yl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide
CID 129339806
5-cyano-N-[(2-methylthiolan-2-yl)methyl]pyridine-2-carboxamide
CID 80528714
4-[[(1-cyclopentylpyrazole-3-carbonyl)amino]methyl]oxane-4-carboxylic acid
CID 120543379
6-amino-N-[(2-methylthiolan-2-yl)methyl]pyrazine-2-carboxamide
CID 114036016
N-[(2-methylthiolan-2-yl)methyl]thiophene-2-carboxamide
CID 80528767
4-amino-N-[(2-methylthiolan-2-yl)methyl]-1H-pyrrole-2-carboxamide
CID 80726234

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of N-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide (CID 129476053) is N-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide is C[C@@]1(CNC(=O)c2ccn([C@@H]3CCCNC3)n2)CCCS1.
What is the InChIKey of N-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is SBPKLAGAEHOWQL-DOMZBBRYSA-N. The full InChI is InChI=1S/C15H24N4OS/c1-15(6-3-9-21-15)11-17-14(20)13-5-8-19(18-13)12-4-2-7-16-10-12/h5,8,12,16H,2-4,6-7,9-11H2,1H3,(H,17,20)/t12-,15+/m1/s1.
What are the key properties of N-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide?
N-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 308.45 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2-methylthiolan-2-yl]methyl]-1-[(3R)-piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 129476053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).