N-[4-(furan-2-yl)butan-2-yl]-4-iodo-N-methyl-1H-pyrazole-5-carboxamide

C13H16IN3O2 — CID 19515270

IUPACN-[4-(furan-2-yl)butan-2-yl]-4-iodo-N-methyl-1H-pyrazole-5-carboxamide
SMILESCC(CCc1ccco1)N(C)C(=O)c1[nH]ncc1I
InChIInChI=1S/C13H16IN3O2/c1-9(5-6-10-4-3-7-19-10)17(2)13(18)12-11(14)8-15-16-12/h3-4,7-9H,5-6H2,1-2H3,(H,15,16)
InChIKeyJZAQWZCTSZQUDZ-UHFFFAOYSA-N
MW373.19 g/mol
LogP2.70
Rot. Bonds5

About N-[4-(furan-2-yl)butan-2-yl]-4-iodo-N-methyl-1H-pyrazole-5-carboxamide

N-[4-(furan-2-yl)butan-2-yl]-4-iodo-N-methyl-1H-pyrazole-5-carboxamide (PubChem CID 19515270) has the molecular formula C13H16IN3O2 and a molecular weight of 373.19 g/mol. Its IUPAC name is N-[4-(furan-2-yl)butan-2-yl]-4-iodo-N-methyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-(furan-2-yl)butan-2-yl]-4-iodo-N-methyl-1H-pyrazole-5-carboxamide
PubChem CID19515270
Molecular FormulaC13H16IN3O2
Molecular Weight373.19 g/mol
Exact Mass373.03
IUPAC NameN-[4-(furan-2-yl)butan-2-yl]-4-iodo-N-methyl-1H-pyrazole-5-carboxamide
SMILESCC(CCc1ccco1)N(C)C(=O)c1[nH]ncc1I
InChIInChI=1S/C13H16IN3O2/c1-9(5-6-10-4-3-7-19-10)17(2)13(18)12-11(14)8-15-16-12/h3-4,7-9H,5-6H2,1-2H3,(H,15,16)
InChIKeyJZAQWZCTSZQUDZ-UHFFFAOYSA-N
XLogP2.70
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.19
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(furan-2-yl)butan-2-yl]-N,1,3,5-tetramethylpyrazole-4-carboxamide
CID 19477976
1-ethyl-N-[4-(furan-2-yl)butan-2-yl]-N,3-dimethylpyrazole-4-carboxamide
CID 19477854
5-(4-fluorophenyl)-N-[4-(furan-2-yl)butan-2-yl]-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19440969
4-amino-N,N-bis(furan-2-ylmethyl)-1H-pyrazole-5-carboxamide
CID 63103060
1-ethyl-3-[4-(furan-2-yl)butan-2-yl]urea
CID 115571916
2-[4-(furan-2-yl)butan-2-ylcarbamoyl-methylamino]propanoic acid
CID 55096590
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
4-[4-(furan-2-yl)butan-2-ylamino]-N,N-dimethylpyridine-2-carboxamide
CID 60704722
5-chloro-4-[4-(furan-2-yl)butan-2-ylamino]-1H-pyridazin-6-one
CID 78913335
2-[3-(furan-2-yl)propanoyl-methylamino]propanoic acid
CID 62626533
N-ethyl-2-[4-(furan-2-yl)butan-2-ylamino]acetamide
CID 43401748
N-[(2S)-1-ethylsulfonylpropan-2-yl]-3-(furan-2-yl)-N-methylpropanamide
CID 95625353

Frequently Asked Questions

What is the IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-4-iodo-N-methyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-(furan-2-yl)butan-2-yl]-4-iodo-N-methyl-1H-pyrazole-5-carboxamide (CID 19515270) is N-[4-(furan-2-yl)butan-2-yl]-4-iodo-N-methyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-(furan-2-yl)butan-2-yl]-4-iodo-N-methyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-(furan-2-yl)butan-2-yl]-4-iodo-N-methyl-1H-pyrazole-5-carboxamide is CC(CCc1ccco1)N(C)C(=O)c1[nH]ncc1I.
What is the InChIKey of N-[4-(furan-2-yl)butan-2-yl]-4-iodo-N-methyl-1H-pyrazole-5-carboxamide?
The InChIKey is JZAQWZCTSZQUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16IN3O2/c1-9(5-6-10-4-3-7-19-10)17(2)13(18)12-11(14)8-15-16-12/h3-4,7-9H,5-6H2,1-2H3,(H,15,16).
What are the key properties of N-[4-(furan-2-yl)butan-2-yl]-4-iodo-N-methyl-1H-pyrazole-5-carboxamide?
N-[4-(furan-2-yl)butan-2-yl]-4-iodo-N-methyl-1H-pyrazole-5-carboxamide has a molecular weight of 373.19 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(furan-2-yl)butan-2-yl]-4-iodo-N-methyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19515270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).