N-tert-butyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide

C12H21N3O — CID 110681595

IUPACN-tert-butyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)nn1C(C)C
InChIInChI=1S/C12H21N3O/c1-8(2)15-9(3)7-10(14-15)11(16)13-12(4,5)6/h7-8H,1-6H3,(H,13,16)
InChIKeyZQAFHKKNYFEIRO-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.30
Rot. Bonds2

About N-tert-butyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide

N-tert-butyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 110681595) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-tert-butyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID110681595
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-tert-butyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC(C)(C)C)nn1C(C)C
InChIInChI=1S/C12H21N3O/c1-8(2)15-9(3)7-10(14-15)11(16)13-12(4,5)6/h7-8H,1-6H3,(H,13,16)
InChIKeyZQAFHKKNYFEIRO-UHFFFAOYSA-N
XLogP2.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-phenyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681605
methyl 3-[(5-methyl-1-propan-2-ylpyrazole-3-carbonyl)amino]benzoate
CID 110681637
N-[2-(3-chlorophenyl)ethyl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681602
5-methyl-1-propan-2-yl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
CID 121061487
2-(5-methyl-1-propan-2-ylpyrazol-3-yl)propanoic acid
CID 105450059
3-N,6-N-ditert-butylpyridazine-3,6-dicarboxamide
CID 139234600
N-tert-butyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319328
N-tert-butyl-7-methyl-2-phenylpyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 24716804
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 121061476
N-benzyl-N-ethyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide
CID 110681550
5-methyl-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 43974173
4-(1-bromoethyl)-N-tert-butylpyridine-2-carboxamide
CID 174632334

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-tert-butyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide (CID 110681595) is N-tert-butyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-tert-butyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-tert-butyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide is Cc1cc(C(=O)NC(C)(C)C)nn1C(C)C.
What is the InChIKey of N-tert-butyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is ZQAFHKKNYFEIRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8(2)15-9(3)7-10(14-15)11(16)13-12(4,5)6/h7-8H,1-6H3,(H,13,16).
What are the key properties of N-tert-butyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide?
N-tert-butyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 223.32 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-methyl-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 110681595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).