N-tert-butyl-4-chloro-1,5-dimethylpyrazole-3-carboxamide

C10H16ClN3O — CID 4770683

IUPACN-tert-butyl-4-chloro-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)NC(C)(C)C)nn1C
InChIInChI=1S/C10H16ClN3O/c1-6-7(11)8(13-14(6)5)9(15)12-10(2,3)4/h1-5H3,(H,12,15)
InChIKeyUIPDZBHHUWRQBR-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.91
Rot. Bonds1

About N-tert-butyl-4-chloro-1,5-dimethylpyrazole-3-carboxamide

N-tert-butyl-4-chloro-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 4770683) has the molecular formula C10H16ClN3O and a molecular weight of 229.71 g/mol. Its IUPAC name is N-tert-butyl-4-chloro-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-4-chloro-1,5-dimethylpyrazole-3-carboxamide
PubChem CID4770683
Molecular FormulaC10H16ClN3O
Molecular Weight229.71 g/mol
Exact Mass229.10
IUPAC NameN-tert-butyl-4-chloro-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(Cl)c(C(=O)NC(C)(C)C)nn1C
InChIInChI=1S/C10H16ClN3O/c1-6-7(11)8(13-14(6)5)9(15)12-10(2,3)4/h1-5H3,(H,12,15)
InChIKeyUIPDZBHHUWRQBR-UHFFFAOYSA-N
XLogP1.91
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-chloro-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-tert-butyl-4-chloro-1,5-dimethylpyrazole-3-carboxamide (CID 4770683) is N-tert-butyl-4-chloro-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-tert-butyl-4-chloro-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-tert-butyl-4-chloro-1,5-dimethylpyrazole-3-carboxamide is Cc1c(Cl)c(C(=O)NC(C)(C)C)nn1C.
What is the InChIKey of N-tert-butyl-4-chloro-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is UIPDZBHHUWRQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O/c1-6-7(11)8(13-14(6)5)9(15)12-10(2,3)4/h1-5H3,(H,12,15).
What are the key properties of N-tert-butyl-4-chloro-1,5-dimethylpyrazole-3-carboxamide?
N-tert-butyl-4-chloro-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 229.71 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-chloro-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 4770683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).