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

C19H21N3O — CID 78893081

IUPAC3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H21N3O/c1-19(2,3)17-12-16(22(4)21-17)18(23)20-15-10-9-13-7-5-6-8-14(13)11-15/h5-12H,1-4H3,(H,20,23)
InChIKeyAZMRIAHPGUZZMF-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.12
Rot. Bonds2

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

3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide (PubChem CID 78893081) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide
PubChem CID78893081
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide
SMILESCn1nc(C(C)(C)C)cc1C(=O)Nc1ccc2ccccc2c1
InChIInChI=1S/C19H21N3O/c1-19(2,3)17-12-16(22(4)21-17)18(23)20-15-10-9-13-7-5-6-8-14(13)11-15/h5-12H,1-4H3,(H,20,23)
InChIKeyAZMRIAHPGUZZMF-UHFFFAOYSA-N
XLogP4.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-N-(3,4-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 10734263
N-(6-amino-3-pyridinyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 119516235
N-(3-butanoylphenyl)-3-tert-butyl-1-methylpyrazole-5-carboxamide
CID 10520273
3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
CID 70247409
2-[[2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]acetic acid
CID 119224356
2-(3-tert-butyl-1-methylpyrazol-5-yl)-N-(4-methylphenyl)-2-oxoacetamide
CID 174498929
3-tert-butyl-1-methyl-N-[4-(1,2,4-triazol-1-ylmethyl)phenyl]pyrazole-5-carboxamide
CID 78898253
3-[6-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]benzimidazol-1-yl]-3-phenylpropanoic acid
CID 69388559
2-[4-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]pyrazol-1-yl]-2-methylpropanoic acid
CID 120697436
3-tert-butyl-1-methyl-N-(2-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)pyrazole-5-carboxamide
CID 155547970
3-tert-butyl-1-methyl-N'-(1-methylpyrrole-2-carbonyl)pyrazole-5-carbohydrazide
CID 87033202
3-tert-butyl-1-methyl-N-[4-(2-methylphenyl)-1,3-thiazol-2-yl]pyrazole-5-carboxamide
CID 78897554

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide (CID 78893081) is 3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide is Cn1nc(C(C)(C)C)cc1C(=O)Nc1ccc2ccccc2c1.
What is the InChIKey of 3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide?
The InChIKey is AZMRIAHPGUZZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-19(2,3)17-12-16(22(4)21-17)18(23)20-15-10-9-13-7-5-6-8-14(13)11-15/h5-12H,1-4H3,(H,20,23).
What are the key properties of 3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide?
3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 78893081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).