N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide

C18H19N3O2S — CID 70769503

IUPACN-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide
SMILESO=C(NCC(CO)Cc1ccsc1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C18H19N3O2S/c22-12-15(9-14-5-8-24-13-14)11-19-18(23)16-3-1-4-17(10-16)21-7-2-6-20-21/h1-8,10,13,15,22H,9,11-12H2,(H,19,23)
InChIKeyRNVDUBNJGKNPKM-UHFFFAOYSA-N
MW341.44 g/mol
LogP2.51
Rot. Bonds7

About N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide

N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide (PubChem CID 70769503) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide
PubChem CID70769503
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC NameN-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide
SMILESO=C(NCC(CO)Cc1ccsc1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C18H19N3O2S/c22-12-15(9-14-5-8-24-13-14)11-19-18(23)16-3-1-4-17(10-16)21-7-2-6-20-21/h1-8,10,13,15,22H,9,11-12H2,(H,19,23)
InChIKeyRNVDUBNJGKNPKM-UHFFFAOYSA-N
XLogP2.51
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide
CID 125447855
3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide
CID 118789146
3-pyrazol-1-yl-N-[(1-thiophen-3-yltriazol-4-yl)methyl]benzamide
CID 122275883
N-benzyl-3-pyrazol-1-ylbenzamide
CID 110698131
2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide
CID 74238284
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-3-pyrazol-1-ylbenzamide
CID 111423679
N-[(4-chlorophenyl)methyl]-3-pyrazol-1-ylbenzamide
CID 110698140
N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 99960412
N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 97445497
N-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-pyrazol-1-ylbenzamide
CID 111697672
N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide
CID 126816815
3-pyrazol-1-yl-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]benzamide
CID 121018137

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide (CID 70769503) is N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide is O=C(NCC(CO)Cc1ccsc1)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is RNVDUBNJGKNPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2S/c22-12-15(9-14-5-8-24-13-14)11-19-18(23)16-3-1-4-17(10-16)21-7-2-6-20-21/h1-8,10,13,15,22H,9,11-12H2,(H,19,23).
What are the key properties of N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide?
N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 341.44 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 70769503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).