N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide

C16H23N3O3 — CID 154757430

IUPACN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide
SMILESCOc1c(CNC(=O)c2cc(C(C)C)oc2C)c(C)nn1C
InChIInChI=1S/C16H23N3O3/c1-9(2)14-7-12(11(4)22-14)15(20)17-8-13-10(3)18-19(5)16(13)21-6/h7,9H,8H2,1-6H3,(H,17,20)
InChIKeyDKYOJBLEOKOSHT-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.69
Rot. Bonds5

About N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide (PubChem CID 154757430) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide
PubChem CID154757430
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC NameN-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide
SMILESCOc1c(CNC(=O)c2cc(C(C)C)oc2C)c(C)nn1C
InChIInChI=1S/C16H23N3O3/c1-9(2)14-7-12(11(4)22-14)15(20)17-8-13-10(3)18-19(5)16(13)21-6/h7,9H,8H2,1-6H3,(H,17,20)
InChIKeyDKYOJBLEOKOSHT-UHFFFAOYSA-N
XLogP2.69
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide
CID 146075789
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 84599576
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 75484362
(2S)-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N,N,3-trimethylbutanamide
CID 94823326
3-chloro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-4-(1-phenoxyethyl)benzamide
CID 126751785
1-[(1R)-1-(3-fluoro-4-methylphenyl)ethyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea
CID 97308356
1-[1-(5-ethyl-1,3-thiazol-2-yl)ethyl]-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]urea
CID 86792727
(2S)-2-(2-chloro-4-fluorophenoxy)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propanamide
CID 97262521
2-methyl-N-[(6-morpholin-4-ylpyrimidin-4-yl)methyl]-5-propan-2-ylfuran-3-carboxamide
CID 70712162
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethylurea
CID 113463419
N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide
CID 115600773
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655444

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide?
The IUPAC name of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide (CID 154757430) is N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide.
What is the SMILES notation for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide?
The canonical SMILES for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide is COc1c(CNC(=O)c2cc(C(C)C)oc2C)c(C)nn1C.
What is the InChIKey of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide?
The InChIKey is DKYOJBLEOKOSHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-9(2)14-7-12(11(4)22-14)15(20)17-8-13-10(3)18-19(5)16(13)21-6/h7,9H,8H2,1-6H3,(H,17,20).
What are the key properties of N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide?
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2-methyl-5-propan-2-ylfuran-3-carboxamide is sourced from PubChem (CID 154757430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).