N,1-ditert-butyl-5-methylpyrazole-3-carboxamide

C13H23N3O — CID 47299648

IUPACN,1-ditert-butyl-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)nn1C(C)(C)C
InChIInChI=1S/C13H23N3O/c1-9-8-10(11(17)14-12(2,3)4)15-16(9)13(5,6)7/h8H,1-7H3,(H,14,17)
InChIKeyDTNBEMPDXCUSLT-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.47
Rot. Bonds1

About N,1-ditert-butyl-5-methylpyrazole-3-carboxamide

N,1-ditert-butyl-5-methylpyrazole-3-carboxamide (PubChem CID 47299648) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N,1-ditert-butyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN,1-ditert-butyl-5-methylpyrazole-3-carboxamide
PubChem CID47299648
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN,1-ditert-butyl-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)nn1C(C)(C)C
InChIInChI=1S/C13H23N3O/c1-9-8-10(11(17)14-12(2,3)4)15-16(9)13(5,6)7/h8H,1-7H3,(H,14,17)
InChIKeyDTNBEMPDXCUSLT-UHFFFAOYSA-N
XLogP2.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(tert-butyl)-5-methyl-N-phenyl-1H-pyrazole-3-carboxamide
CID 2747319
N,3-ditert-butyl-1-pentylpyrazole-5-carboxamide
CID 141747275
N-(1-hydroxy-2-methylpropan-2-yl)-1-pentyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 162664964
N,5-ditert-butyl-1-pentylpyrazole-3-carboxamide
CID 162668036
N,1,5-trimethyl-1H-pyrazole-3-carboxamide
CID 19279808
1-ethyl-3-methyl-1H-pyrazole-5-carbonyl isothiocyanate
CID 66120676
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-N-ethyl-3-methylpiperidine-3-carboxamide
CID 49795728
1-tert-butyl-5-methyl-N-(2-piperidin-1-ylethyl)pyrazole-3-carboxamide
CID 53501404
1-tert-butyl-5-methyl-N'-methylsulfonylpyrazole-3-carbohydrazide
CID 2809455
N-Isobutyl-1,5-dimethyl-1H-pyrazole-3-carboxamide
CID 19279617
4-(1-ethyl-3-methyl-1H-pyrazole-5-carbonyl)-3,3-dimethylpiperazin-2-one
CID 25854652
1-(1-tert-butyl-5-methylpyrazole-3-carbonyl)-3-methyl-N-propylpiperidine-3-carboxamide
CID 49790470

Frequently Asked Questions

What is the IUPAC name of N,1-ditert-butyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N,1-ditert-butyl-5-methylpyrazole-3-carboxamide (CID 47299648) is N,1-ditert-butyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N,1-ditert-butyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N,1-ditert-butyl-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(C)(C)C)nn1C(C)(C)C.
What is the InChIKey of N,1-ditert-butyl-5-methylpyrazole-3-carboxamide?
The InChIKey is DTNBEMPDXCUSLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9-8-10(11(17)14-12(2,3)4)15-16(9)13(5,6)7/h8H,1-7H3,(H,14,17).
What are the key properties of N,1-ditert-butyl-5-methylpyrazole-3-carboxamide?
N,1-ditert-butyl-5-methylpyrazole-3-carboxamide has a molecular weight of 237.35 g/mol, XLogP of 2.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-ditert-butyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 47299648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).