N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide

C12H16IN5O — CID 4769403

IUPACN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)c1c(I)cnn1C
InChIInChI=1S/C12H16IN5O/c1-7(9-6-17(3)16-8(9)2)15-12(19)11-10(13)5-14-18(11)4/h5-7H,1-4H3,(H,15,19)
InChIKeyAZTQVCPSTNWYJD-UHFFFAOYSA-N
MW373.20 g/mol
LogP1.56
Rot. Bonds3

About N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide

N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide (PubChem CID 4769403) has the molecular formula C12H16IN5O and a molecular weight of 373.20 g/mol. Its IUPAC name is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide
PubChem CID4769403
Molecular FormulaC12H16IN5O
Molecular Weight373.20 g/mol
Exact Mass373.04
IUPAC NameN-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide
SMILESCc1nn(C)cc1C(C)NC(=O)c1c(I)cnn1C
InChIInChI=1S/C12H16IN5O/c1-7(9-6-17(3)16-8(9)2)15-12(19)11-10(13)5-14-18(11)4/h5-7H,1-4H3,(H,15,19)
InChIKeyAZTQVCPSTNWYJD-UHFFFAOYSA-N
XLogP1.56
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.20
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide (CID 4769403) is N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide is Cc1nn(C)cc1C(C)NC(=O)c1c(I)cnn1C.
What is the InChIKey of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide?
The InChIKey is AZTQVCPSTNWYJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16IN5O/c1-7(9-6-17(3)16-8(9)2)15-12(19)11-10(13)5-14-18(11)4/h5-7H,1-4H3,(H,15,19).
What are the key properties of N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide?
N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide has a molecular weight of 373.20 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-dimethylpyrazol-4-yl)ethyl]-4-iodo-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 4769403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).