N-tert-butyl-N-methyl-1H-pyrazole-4-carboxamide

C9H15N3O — CID 54512924

IUPACN-tert-butyl-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1)C(C)(C)C
InChIInChI=1S/C9H15N3O/c1-9(2,3)12(4)8(13)7-5-10-11-6-7/h5-6H,1-4H3,(H,10,11)
InChIKeyYKKHLEQLVAMZOR-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.28
Rot. Bonds1

About N-tert-butyl-N-methyl-1H-pyrazole-4-carboxamide

N-tert-butyl-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 54512924) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID54512924
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC NameN-tert-butyl-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1)C(C)(C)C
InChIInChI=1S/C9H15N3O/c1-9(2,3)12(4)8(13)7-5-10-11-6-7/h5-6H,1-4H3,(H,10,11)
InChIKeyYKKHLEQLVAMZOR-UHFFFAOYSA-N
XLogP1.28
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-tert-butyl-N-methyl-1H-pyrazole-4-carboxamide (CID 54512924) is N-tert-butyl-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-tert-butyl-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-tert-butyl-N-methyl-1H-pyrazole-4-carboxamide is CN(C(=O)c1cn[nH]c1)C(C)(C)C.
What is the InChIKey of N-tert-butyl-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is YKKHLEQLVAMZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-9(2,3)12(4)8(13)7-5-10-11-6-7/h5-6H,1-4H3,(H,10,11).
What are the key properties of N-tert-butyl-N-methyl-1H-pyrazole-4-carboxamide?
N-tert-butyl-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 181.24 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 54512924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).