N,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide

C15H15N3O2S — CID 56741601

IUPACN,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)N(C)Cc1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C15H15N3O2S/c1-10-5-6-20-14(10)15(19)18(2)9-11-8-12(17-16-11)13-4-3-7-21-13/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyNABPQFJUKZUGOF-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.31
Rot. Bonds4

About N,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide

N,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide (PubChem CID 56741601) has the molecular formula C15H15N3O2S and a molecular weight of 301.37 g/mol. Its IUPAC name is N,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide
PubChem CID56741601
Molecular FormulaC15H15N3O2S
Molecular Weight301.37 g/mol
Exact Mass301.09
IUPAC NameN,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide
SMILESCc1ccoc1C(=O)N(C)Cc1cc(-c2cccs2)n[nH]1
InChIInChI=1S/C15H15N3O2S/c1-10-5-6-20-14(10)15(19)18(2)9-11-8-12(17-16-11)13-4-3-7-21-13/h3-8H,9H2,1-2H3,(H,16,17)
InChIKeyNABPQFJUKZUGOF-UHFFFAOYSA-N
XLogP3.31
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,1-dimethyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyrazole-5-carboxamide
CID 50974595
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-methyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]acetamide
CID 77086004
N,4-dimethyl-2-oxo-1-piperidin-4-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]pyridine-3-carboxamide;hydrochloride
CID 172911318
N-methyl-3-propan-2-yl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 131942905
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetic acid
CID 14911019
N-[(3-chlorophenyl)methyl]-N,3-dimethylfuran-2-carboxamide
CID 134044846
N,3-dimethyl-N-[(4-methylthiadiazol-5-yl)methyl]furan-2-carboxamide
CID 56759688
2-(3-thiophen-2-yl-1H-pyrazol-5-yl)acetonitrile
CID 14911014
(3R,6S)-1-acetyl-6-amino-N-methyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]azepane-3-carboxamide;hydrochloride
CID 166600077
N,3-dimethyl-N-(2-pyridin-4-ylethyl)furan-2-carboxamide
CID 110695643
N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135570319
N-[(4-ethylphenyl)methyl]-N-methyl-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 55739896

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide?
The IUPAC name of N,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide (CID 56741601) is N,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide is Cc1ccoc1C(=O)N(C)Cc1cc(-c2cccs2)n[nH]1.
What is the InChIKey of N,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide?
The InChIKey is NABPQFJUKZUGOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2S/c1-10-5-6-20-14(10)15(19)18(2)9-11-8-12(17-16-11)13-4-3-7-21-13/h3-8H,9H2,1-2H3,(H,16,17).
What are the key properties of N,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide?
N,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(3-thiophen-2-yl-1H-pyrazol-5-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 56741601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).