N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide

C13H17N3O2 — CID 40840974

IUPACN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
SMILESCc1cc(C)n(C[C@H](C)NC(=O)c2ccco2)n1
InChIInChI=1S/C13H17N3O2/c1-9-7-11(3)16(15-9)8-10(2)14-13(17)12-5-4-6-18-12/h4-7,10H,8H2,1-3H3,(H,14,17)/t10-/m0/s1
InChIKeySFQDZIMWUYKNSN-JTQLQIEISA-N
MW247.30 g/mol
LogP1.91
Rot. Bonds4

About N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide

N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide (PubChem CID 40840974) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
PubChem CID40840974
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide
SMILESCc1cc(C)n(C[C@H](C)NC(=O)c2ccco2)n1
InChIInChI=1S/C13H17N3O2/c1-9-7-11(3)16(15-9)8-10(2)14-13(17)12-5-4-6-18-12/h4-7,10H,8H2,1-3H3,(H,14,17)/t10-/m0/s1
InChIKeySFQDZIMWUYKNSN-JTQLQIEISA-N
XLogP1.91
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182049
N-[(2R)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]furan-2-carboxamide
CID 94182050
N-[5-[[(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methylpropyl]carbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 51953847
methyl N-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylcarbamoyl]phenyl]carbamate
CID 56789428
1-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-3-(3-methylbutan-2-yl)urea
CID 60546682
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2-[2-[1-(3,5-dimethylpyrazol-1-yl)propan-2-ylamino]-2-oxoethoxy]acetamide
CID 166196436
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
CID 157012975
N-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-2,8-dimethylquinoline-4-carboxamide
CID 51586879
N-[(2S)-1-phenylpropan-2-yl]furan-2-carboxamide
CID 768448
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 95850098
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-3-[(2R)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]urea
CID 97443871
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 50950440

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide?
The IUPAC name of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide (CID 40840974) is N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide is Cc1cc(C)n(C[C@H](C)NC(=O)c2ccco2)n1.
What is the InChIKey of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide?
The InChIKey is SFQDZIMWUYKNSN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-7-11(3)16(15-9)8-10(2)14-13(17)12-5-4-6-18-12/h4-7,10H,8H2,1-3H3,(H,14,17)/t10-/m0/s1.
What are the key properties of N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide?
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 40840974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).