N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

C15H19N3O2S — CID 56744209

IUPACN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCOCc1cc(CNC(=O)c2csc3c2CCCC3)[nH]n1
InChIInChI=1S/C15H19N3O2S/c1-20-8-11-6-10(17-18-11)7-16-15(19)13-9-21-14-5-3-2-4-12(13)14/h6,9H,2-5,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyDAFZMXHMSNNNDK-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.43
Rot. Bonds5

About N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide

N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (PubChem CID 56744209) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
PubChem CID56744209
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
SMILESCOCc1cc(CNC(=O)c2csc3c2CCCC3)[nH]n1
InChIInChI=1S/C15H19N3O2S/c1-20-8-11-6-10(17-18-11)7-16-15(19)13-9-21-14-5-3-2-4-12(13)14/h6,9H,2-5,7-8H2,1H3,(H,16,19)(H,17,18)
InChIKeyDAFZMXHMSNNNDK-UHFFFAOYSA-N
XLogP2.43
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-4-(3-pyrrolidinyl)benzamide
CID 56907719
3-Chloro-4-fluoro-N-{[5-(methoxymethyl)-1H-pyrazol-3-YL]methyl}-1-benzothiophene-2-carboxamide
CID 72837542
5-(1-cyclopentyl-2-pyrrolidinyl)-N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-2-thiophenecarboxamide
CID 45215067
N-{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}-2-(3-pyrrolidinyl)benzamide
CID 56890643
4-(2,4-Dimethyl-1,3-thiazol-5-YL)-N-{[5-(methoxymethyl)-1H-pyrazol-3-YL]methyl}benzamide
CID 119064318
N-[[3-(chloromethyl)thiophen-2-yl]methyl]-5-(methoxymethyl)-4-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 172682576
N-[(3-chlorothiophen-2-yl)methyl]-5-(methoxymethyl)-4-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 172699878
N-[[3-(chloromethyl)thiophen-2-yl]methyl]-5-(methoxymethyl)-4-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 172726431
[3-(methoxymethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-thiophen-3-yl-1H-pyrazol-5-yl)methanone
CID 30956925
5-[(2S)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide
CID 31044711
5-[(2R)-1-cyclopentylpyrrolidin-2-yl]-N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]thiophene-2-carboxamide
CID 31044715
N-{2-[{[5-(methoxymethyl)-1H-pyrazol-3-yl]methyl}(methyl)amino]-1,1-dimethyl-2-oxoethyl}thiophene-2-carboxamide
CID 46990475

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The IUPAC name of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide (CID 56744209) is N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide.
What is the SMILES notation for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The canonical SMILES for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is COCc1cc(CNC(=O)c2csc3c2CCCC3)[nH]n1.
What is the InChIKey of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
The InChIKey is DAFZMXHMSNNNDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-20-8-11-6-10(17-18-11)7-16-15(19)13-9-21-14-5-3-2-4-12(13)14/h6,9H,2-5,7-8H2,1H3,(H,16,19)(H,17,18).
What are the key properties of N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide?
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide has a molecular weight of 305.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide is sourced from PubChem (CID 56744209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).