N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide

C17H25N5OS — CID 128976100

IUPACN-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(C2CCCN(Cc3csc(C(C)C)n3)C2)n1
InChIInChI=1S/C17H25N5OS/c1-12(2)17-19-13(11-24-17)9-21-7-4-5-14(10-21)22-8-6-15(20-22)16(23)18-3/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3,(H,18,23)
InChIKeyDLVYIRXICWCEBP-UHFFFAOYSA-N
MW347.49 g/mol
LogP2.66
Rot. Bonds5

About N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide

N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide (PubChem CID 128976100) has the molecular formula C17H25N5OS and a molecular weight of 347.49 g/mol. Its IUPAC name is N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide
PubChem CID128976100
Molecular FormulaC17H25N5OS
Molecular Weight347.49 g/mol
Exact Mass347.18
IUPAC NameN-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(C2CCCN(Cc3csc(C(C)C)n3)C2)n1
InChIInChI=1S/C17H25N5OS/c1-12(2)17-19-13(11-24-17)9-21-7-4-5-14(10-21)22-8-6-15(20-22)16(23)18-3/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3,(H,18,23)
InChIKeyDLVYIRXICWCEBP-UHFFFAOYSA-N
XLogP2.66
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.49
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide with MolForge

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Related Compounds

1-[(3S)-1-[(4-ethyl-6-oxo-1H-pyrimidin-2-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 137204395
1-[1-[[5-(hydroxymethyl)furan-2-yl]methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976151
1-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976121
1-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976111
1-[(3S)-1-(2-cycloheptylethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 100626552
1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-ol
CID 51086523
1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 129332274
N-methyl-1-[1-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)ethyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 127975200
2-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]acetic acid
CID 62690788
N-methyl-1-[(3S)-1-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 129475944
N-methyl-1-[(3S)-1-[(2-methyl-1-benzofuran-3-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide
CID 129344407
1-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 128976142

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide?
The IUPAC name of N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide (CID 128976100) is N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide?
The canonical SMILES for N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide is CNC(=O)c1ccn(C2CCCN(Cc3csc(C(C)C)n3)C2)n1.
What is the InChIKey of N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide?
The InChIKey is DLVYIRXICWCEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5OS/c1-12(2)17-19-13(11-24-17)9-21-7-4-5-14(10-21)22-8-6-15(20-22)16(23)18-3/h6,8,11-12,14H,4-5,7,9-10H2,1-3H3,(H,18,23).
What are the key properties of N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide?
N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide has a molecular weight of 347.49 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]piperidin-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 128976100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).