N-butan-2-yl-4-iodo-1-methylpyrazole-5-carboxamide

C9H14IN3O — CID 19476123

IUPACN-butan-2-yl-4-iodo-1-methylpyrazole-5-carboxamide
SMILESCCC(C)NC(=O)c1c(I)cnn1C
InChIInChI=1S/C9H14IN3O/c1-4-6(2)12-9(14)8-7(10)5-11-13(8)3/h5-6H,4H2,1-3H3,(H,12,14)
InChIKeyIUZKTIAZVCIVGK-UHFFFAOYSA-N
MW307.14 g/mol
LogP1.55
Rot. Bonds3

About N-butan-2-yl-4-iodo-1-methylpyrazole-5-carboxamide

N-butan-2-yl-4-iodo-1-methylpyrazole-5-carboxamide (PubChem CID 19476123) has the molecular formula C9H14IN3O and a molecular weight of 307.14 g/mol. Its IUPAC name is N-butan-2-yl-4-iodo-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-iodo-1-methylpyrazole-5-carboxamide
PubChem CID19476123
Molecular FormulaC9H14IN3O
Molecular Weight307.14 g/mol
Exact Mass307.02
IUPAC NameN-butan-2-yl-4-iodo-1-methylpyrazole-5-carboxamide
SMILESCCC(C)NC(=O)c1c(I)cnn1C
InChIInChI=1S/C9H14IN3O/c1-4-6(2)12-9(14)8-7(10)5-11-13(8)3/h5-6H,4H2,1-3H3,(H,12,14)
InChIKeyIUZKTIAZVCIVGK-UHFFFAOYSA-N
XLogP1.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 51.55
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-[1-(4-butan-2-ylphenyl)propyl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476113
N-[1-(1-ethyl-3-methylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476128
N-tert-butyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 19577504
4-amino-N-hexan-2-yl-1-methylpyrazole-5-carboxamide
CID 65359999
1-methyl-5-(6-methylheptan-2-ylcarbamoyl)pyrazole-4-carboxylic acid
CID 44823900
4-amino-1-methyl-N-octan-2-ylpyrazole-5-carboxamide
CID 65359456
N-[(2S)-butan-2-yl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 42443185
N-[(2R)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763827
N-[(2S)-butan-2-yl]-1-methylpyrazole-3-carboxamide
CID 35763828
N-cyclopentyl-4-iodo-1-methylpyrazole-5-carboxamide
CID 903286
N-[(4-fluorophenyl)methyl]-4-iodo-1-methylpyrazole-5-carboxamide
CID 19476046
4-iodo-1-methyl-N-naphthalen-1-ylpyrazole-5-carboxamide
CID 1301795

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-iodo-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-butan-2-yl-4-iodo-1-methylpyrazole-5-carboxamide (CID 19476123) is N-butan-2-yl-4-iodo-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-iodo-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-butan-2-yl-4-iodo-1-methylpyrazole-5-carboxamide is CCC(C)NC(=O)c1c(I)cnn1C.
What is the InChIKey of N-butan-2-yl-4-iodo-1-methylpyrazole-5-carboxamide?
The InChIKey is IUZKTIAZVCIVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14IN3O/c1-4-6(2)12-9(14)8-7(10)5-11-13(8)3/h5-6H,4H2,1-3H3,(H,12,14).
What are the key properties of N-butan-2-yl-4-iodo-1-methylpyrazole-5-carboxamide?
N-butan-2-yl-4-iodo-1-methylpyrazole-5-carboxamide has a molecular weight of 307.14 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-iodo-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19476123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).