5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide

C16H17N3O2S — CID 70715052

IUPAC5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCc3ccc(C)s3)n[nH]2)o1
InChIInChI=1S/C16H17N3O2S/c1-10-3-6-15(21-10)13-9-14(19-18-13)16(20)17-8-7-12-5-4-11(2)22-12/h3-6,9H,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyWCEDDNDWULIQIA-UHFFFAOYSA-N
MW315.40 g/mol
LogP3.32
Rot. Bonds5

About 5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide

5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 70715052) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID70715052
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1ccc(-c2cc(C(=O)NCCc3ccc(C)s3)n[nH]2)o1
InChIInChI=1S/C16H17N3O2S/c1-10-3-6-15(21-10)13-9-14(19-18-13)16(20)17-8-7-12-5-4-11(2)22-12/h3-6,9H,7-8H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyWCEDDNDWULIQIA-UHFFFAOYSA-N
XLogP3.32
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-methylfuran-2-yl)-N-(2-phenylethyl)-1H-pyrazole-3-carboxamide
CID 112829139
N-(2-aminoethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119385488
N-[3-(methylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide;hydrochloride
CID 119434158
N-[(5-bromothiophen-2-yl)methyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 112829365
N-(cyclopropylmethyl)-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 166187750
5-(5-methylfuran-2-yl)-N-(2-propylsulfanylethyl)-1H-pyrazole-3-carboxamide
CID 70788324
5-(5-methylfuran-2-yl)-N-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 118780006
5-(5-methylfuran-2-yl)-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 112828757
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 70715083
N-[(2R)-2-(ethylamino)propyl]-5-(5-methylfuran-2-yl)-1H-pyrazole-3-carboxamide
CID 120652895
N-[(5-methylfuran-2-yl)methyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
CID 70750896
5-(5-methylfuran-2-yl)-N-[2-(1-phenylpyrazol-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 70775870

Frequently Asked Questions

What is the IUPAC name of 5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide (CID 70715052) is 5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide is Cc1ccc(-c2cc(C(=O)NCCc3ccc(C)s3)n[nH]2)o1.
What is the InChIKey of 5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is WCEDDNDWULIQIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-10-3-6-15(21-10)13-9-14(19-18-13)16(20)17-8-7-12-5-4-11(2)22-12/h3-6,9H,7-8H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide?
5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 315.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methylfuran-2-yl)-N-[2-(5-methylthiophen-2-yl)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 70715052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).