N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide

C19H19N3O2S — CID 91762894

IUPACN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide
SMILESO=C(NC(c1cccs1)C1CC(O)C1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C19H19N3O2S/c23-16-11-14(12-16)18(17-6-2-9-25-17)21-19(24)13-4-1-5-15(10-13)22-8-3-7-20-22/h1-10,14,16,18,23H,11-12H2,(H,21,24)
InChIKeyLLUMDYMMPVKITO-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.18
Rot. Bonds5

About N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide

N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide (PubChem CID 91762894) has the molecular formula C19H19N3O2S and a molecular weight of 353.45 g/mol. Its IUPAC name is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide
PubChem CID91762894
Molecular FormulaC19H19N3O2S
Molecular Weight353.45 g/mol
Exact Mass353.12
IUPAC NameN-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide
SMILESO=C(NC(c1cccs1)C1CC(O)C1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C19H19N3O2S/c23-16-11-14(12-16)18(17-6-2-9-25-17)21-19(24)13-4-1-5-15(10-13)22-8-3-7-20-22/h1-10,14,16,18,23H,11-12H2,(H,21,24)
InChIKeyLLUMDYMMPVKITO-UHFFFAOYSA-N
XLogP3.18
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-hydroxycyclobutyl)-2-pyridin-4-ylethyl]-3-pyrazol-1-ylbenzamide
CID 91776192
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-4-morpholin-4-ylbenzamide
CID 91776302
5-cyclopropyl-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-1H-pyrazole-3-carboxamide
CID 91782379
N-[oxan-4-yl(pyridin-3-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 91629823
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 50952833
N-[(1S,3S)-3-aminocyclopentyl]-3-pyrazol-1-ylbenzamide
CID 133112639
5-cyano-N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
CID 91795552
N-[(3S,3aR,6R,6aR)-6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]-3-pyrazol-1-ylbenzamide
CID 155912648
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-2-pyridin-3-ylacetamide
CID 91764411
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide
CID 91796184
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyridin-3-ylpropanamide
CID 91770476
3-pyrazol-1-yl-N-[1-(5-thiophen-2-yl-1H-pyrazol-3-yl)piperidin-4-yl]benzamide
CID 91818067

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide (CID 91762894) is N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide is O=C(NC(c1cccs1)C1CC(O)C1)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is LLUMDYMMPVKITO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2S/c23-16-11-14(12-16)18(17-6-2-9-25-17)21-19(24)13-4-1-5-15(10-13)22-8-3-7-20-22/h1-10,14,16,18,23H,11-12H2,(H,21,24).
What are the key properties of N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide?
N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 353.45 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclobutyl)-thiophen-2-ylmethyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 91762894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).