5-(5-methylthiophen-2-yl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide

C14H17N3O2S — CID 71896699

IUPAC5-(5-methylthiophen-2-yl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC3CCOC3)n[nH]2)s1
InChIInChI=1S/C14H17N3O2S/c1-9-2-3-13(20-9)11-6-12(17-16-11)14(18)15-7-10-4-5-19-8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyPQHIKFQXOXWVFO-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.21
Rot. Bonds4

About 5-(5-methylthiophen-2-yl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide

5-(5-methylthiophen-2-yl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide (PubChem CID 71896699) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 5-(5-methylthiophen-2-yl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylthiophen-2-yl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
PubChem CID71896699
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name5-(5-methylthiophen-2-yl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCC3CCOC3)n[nH]2)s1
InChIInChI=1S/C14H17N3O2S/c1-9-2-3-13(20-9)11-6-12(17-16-11)14(18)15-7-10-4-5-19-8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,18)(H,16,17)
InChIKeyPQHIKFQXOXWVFO-UHFFFAOYSA-N
XLogP2.21
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3R)-1-(5-thiophen-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 168294671
5-(5-methylthiophen-2-yl)-N-(4-morpholin-4-ylbutyl)-1H-pyrazole-3-carboxamide
CID 45827434
N-[(4-fluorophenyl)methyl]-5-(4-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 49790776
5-(5-chlorothiophen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 53537651
5-(5-methylthiophen-2-yl)-N-(2-morpholin-4-ylethyl)-1H-pyrazole-3-carboxamide
CID 45818567
N-cyclopropyl-N-(2-methoxyethyl)-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 45828609
1-[3-(thiophen-2-yl)-1H-pyrazole-5-carbonyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 49676923
5-[1-(3-thiophen-2-ylpropanoyl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 71927144
(4-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)piperidin-1-yl)(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanone
CID 45540653
3-(thiophen-2-yl)-N-{2-[4-(thiophene-3-carbonyl)piperazin-1-yl]ethyl}-1H-pyrazole-5-carboxamide
CID 49669680
N-(2-(6-oxo-3-(thiophen-2-yl)pyridazin-1(6H)-yl)ethyl)-3-(thiophen-2-yl)-1H-pyrazole-5-carboxamide
CID 49671292
(3-(5-methyl-1,3,4-thiadiazol-2-yl)piperidin-1-yl)(3-(thiophen-2-yl)-1H-pyrazol-5-yl)methanone
CID 49675846

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylthiophen-2-yl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylthiophen-2-yl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide (CID 71896699) is 5-(5-methylthiophen-2-yl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylthiophen-2-yl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylthiophen-2-yl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCC3CCOC3)n[nH]2)s1.
What is the InChIKey of 5-(5-methylthiophen-2-yl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is PQHIKFQXOXWVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-2-3-13(20-9)11-6-12(17-16-11)14(18)15-7-10-4-5-19-8-10/h2-3,6,10H,4-5,7-8H2,1H3,(H,15,18)(H,16,17).
What are the key properties of 5-(5-methylthiophen-2-yl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide?
5-(5-methylthiophen-2-yl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 291.38 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylthiophen-2-yl)-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 71896699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).