N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide

C16H21N3O2S — CID 118782202

IUPACN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)NCCCn2nccc2C2CC2)o1
InChIInChI=1S/C16H21N3O2S/c1-22-11-13-5-6-15(21-13)16(20)17-8-2-10-19-14(7-9-18-19)12-3-4-12/h5-7,9,12H,2-4,8,10-11H2,1H3,(H,17,20)
InChIKeyBZSNJSULBJJAAV-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.04
Rot. Bonds8

About N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide

N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide (PubChem CID 118782202) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
PubChem CID118782202
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
SMILESCSCc1ccc(C(=O)NCCCn2nccc2C2CC2)o1
InChIInChI=1S/C16H21N3O2S/c1-22-11-13-5-6-15(21-13)16(20)17-8-2-10-19-14(7-9-18-19)12-3-4-12/h5-7,9,12H,2-4,8,10-11H2,1H3,(H,17,20)
InChIKeyBZSNJSULBJJAAV-UHFFFAOYSA-N
XLogP3.04
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-hydroxypropylsulfanyl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 103800603
N-[3-(1H-imidazol-2-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 91796962
methyl 6-[[5-(methylsulfanylmethyl)furan-2-carbonyl]amino]hexanoate
CID 43404526
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-pyrrolidin-3-ylbenzamide
CID 56913832
5-(methylsulfanylmethyl)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]furan-2-carboxamide
CID 64548096
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 72882328
N-[2-(5-methylfuran-2-yl)ethyl]-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 90652745
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-2-(2,5-dioxoimidazolidin-1-yl)acetamide
CID 118785041
N-methyl-5-(methylsulfanylmethyl)furan-2-carboxamide
CID 60637044
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-2-carboxamide
CID 19448481
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-5-[(2,3,4,5,6-pentafluorophenoxy)methyl]furan-2-carboxamide
CID 4772219
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-3-[(3R)-piperidin-3-yl]benzamide
CID 97195958

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide (CID 118782202) is N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide is CSCc1ccc(C(=O)NCCCn2nccc2C2CC2)o1.
What is the InChIKey of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is BZSNJSULBJJAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-22-11-13-5-6-15(21-13)16(20)17-8-2-10-19-14(7-9-18-19)12-3-4-12/h5-7,9,12H,2-4,8,10-11H2,1H3,(H,17,20).
What are the key properties of N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide?
N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-cyclopropylpyrazol-1-yl)propyl]-5-(methylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 118782202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).