N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

C16H16N4O2S — CID 75435793

IUPACN-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N(CCO)Cc1cccnc1
InChIInChI=1S/C16H16N4O2S/c21-7-6-20(11-12-3-1-5-17-10-12)16(22)14-9-13(18-19-14)15-4-2-8-23-15/h1-5,8-10,21H,6-7,11H2,(H,18,19)
InChIKeyGURLFXUKGKPSJA-UHFFFAOYSA-N
MW328.40 g/mol
LogP2.17
Rot. Bonds6

About N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide

N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 75435793) has the molecular formula C16H16N4O2S and a molecular weight of 328.40 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
PubChem CID75435793
Molecular FormulaC16H16N4O2S
Molecular Weight328.40 g/mol
Exact Mass328.10
IUPAC NameN-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
SMILESO=C(c1cc(-c2cccs2)[nH]n1)N(CCO)Cc1cccnc1
InChIInChI=1S/C16H16N4O2S/c21-7-6-20(11-12-3-1-5-17-10-12)16(22)14-9-13(18-19-14)15-4-2-8-23-15/h1-5,8-10,21H,6-7,11H2,(H,18,19)
InChIKeyGURLFXUKGKPSJA-UHFFFAOYSA-N
XLogP2.17
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55739896
pyridin-3-yl-[4-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)piperazin-1-yl]methanone
CID 20911024
N-[(3-methylphenyl)methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55738810
N-methyl-5-thiophen-2-yl-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-3-carboxamide
CID 55739694
N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 166414550
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 119652440
N-[3-[(5-chlorofuran-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 131990285
N-[3-[4-(dimethylcarbamoyl)phenyl]prop-2-ynyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 90549959
N-(3-amino-2,2-dimethylpropyl)-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119652439
3-methyl-N-(pyridin-3-ylmethyl)-N-(pyridin-4-ylmethyl)thiophene-2-carboxamide
CID 86977437
N-(pyridin-3-ylmethyl)-N-(2-thiophen-2-ylethyl)-4-(trifluoromethyl)benzamide
CID 121084904
N-benzyl-N-(2-hydroxyethyl)-2-pyridin-3-ylacetamide
CID 62689181

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide (CID 75435793) is N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is O=C(c1cc(-c2cccs2)[nH]n1)N(CCO)Cc1cccnc1.
What is the InChIKey of N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is GURLFXUKGKPSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2S/c21-7-6-20(11-12-3-1-5-17-10-12)16(22)14-9-13(18-19-14)15-4-2-8-23-15/h1-5,8-10,21H,6-7,11H2,(H,18,19).
What are the key properties of N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide?
N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 328.40 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-N-(pyridin-3-ylmethyl)-5-thiophen-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 75435793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).