N-[4-(furan-2-yl)butan-2-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide

C16H23N3O2 — CID 19477976

IUPACN-[4-(furan-2-yl)butan-2-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(C)C(C)CCc1ccco1
InChIInChI=1S/C16H23N3O2/c1-11(8-9-14-7-6-10-21-14)18(4)16(20)15-12(2)17-19(5)13(15)3/h6-7,10-11H,8-9H2,1-5H3
InChIKeySOBCYEWWMWFQTH-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.72
Rot. Bonds5

About N-[4-(furan-2-yl)butan-2-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide

N-[4-(furan-2-yl)butan-2-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide (PubChem CID 19477976) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide
PubChem CID19477976
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide
SMILESCc1nn(C)c(C)c1C(=O)N(C)C(C)CCc1ccco1
InChIInChI=1S/C16H23N3O2/c1-11(8-9-14-7-6-10-21-14)18(4)16(20)15-12(2)17-19(5)13(15)3/h6-7,10-11H,8-9H2,1-5H3
InChIKeySOBCYEWWMWFQTH-UHFFFAOYSA-N
XLogP2.72
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-N,3-dimethylpyrazole-4-carboxamide
CID 19477854
N-(4-aminobutan-2-yl)-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 63225554
N-[4-(furan-2-yl)butan-2-yl]-4-iodo-N-methyl-1H-pyrazole-5-carboxamide
CID 19515270
ethyl (3S)-3-[methyl-(1,3,5-trimethylpyrazole-4-carbonyl)amino]butanoate
CID 124872087
2-[[[2-(furan-2-yl)ethylamino]-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-ylamino]methylidene]amino]-N,N-dimethylacetamide
CID 110058024
5-[2-(furan-2-yl)ethylamino]-1,3-dimethylpyrazole-4-carboxylic acid
CID 55242302
2-[[[2-(furan-2-yl)ethylamino]-[3-(1,3,5-trimethylpyrazol-4-yl)propylamino]methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110051721
5-(3,4-dimethylphenyl)-N-[(2R)-4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 51388544
1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-3-propan-2-ylpyrazole-5-carboxamide
CID 70726085
3-(furan-2-yl)-N-(1,3,5-trimethylpyrazol-4-yl)sulfonylpropanamide
CID 51086083
5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440969
N-[2-(furan-2-yl)-2-thiophen-3-ylethyl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 131701979

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide (CID 19477976) is N-[4-(furan-2-yl)butan-2-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide is Cc1nn(C)c(C)c1C(=O)N(C)C(C)CCc1ccco1.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide?
The InChIKey is SOBCYEWWMWFQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-11(8-9-14-7-6-10-21-14)18(4)16(20)15-12(2)17-19(5)13(15)3/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide?
N-[4-(furan-2-yl)butan-2-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 2.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide is sourced from PubChem (CID 19477976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).