1-tert-butyl-N-(2-methylnaphthalen-1-yl)pyrazole-4-carboxamide

C19H21N3O — CID 71849188

IUPAC1-tert-butyl-N-(2-methylnaphthalen-1-yl)pyrazole-4-carboxamide
SMILESCc1ccc2ccccc2c1NC(=O)c1cnn(C(C)(C)C)c1
InChIInChI=1S/C19H21N3O/c1-13-9-10-14-7-5-6-8-16(14)17(13)21-18(23)15-11-20-22(12-15)19(2,3)4/h5-12H,1-4H3,(H,21,23)
InChIKeyHAKYFJKYKJJOPX-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.35
Rot. Bonds2

About 1-tert-butyl-N-(2-methylnaphthalen-1-yl)pyrazole-4-carboxamide

1-tert-butyl-N-(2-methylnaphthalen-1-yl)pyrazole-4-carboxamide (PubChem CID 71849188) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 1-tert-butyl-N-(2-methylnaphthalen-1-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-(2-methylnaphthalen-1-yl)pyrazole-4-carboxamide
PubChem CID71849188
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name1-tert-butyl-N-(2-methylnaphthalen-1-yl)pyrazole-4-carboxamide
SMILESCc1ccc2ccccc2c1NC(=O)c1cnn(C(C)(C)C)c1
InChIInChI=1S/C19H21N3O/c1-13-9-10-14-7-5-6-8-16(14)17(13)21-18(23)15-11-20-22(12-15)19(2,3)4/h5-12H,1-4H3,(H,21,23)
InChIKeyHAKYFJKYKJJOPX-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-(2-methylnaphthalen-1-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-(2-methylnaphthalen-1-yl)pyrazole-4-carboxamide (CID 71849188) is 1-tert-butyl-N-(2-methylnaphthalen-1-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-(2-methylnaphthalen-1-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-(2-methylnaphthalen-1-yl)pyrazole-4-carboxamide is Cc1ccc2ccccc2c1NC(=O)c1cnn(C(C)(C)C)c1.
What is the InChIKey of 1-tert-butyl-N-(2-methylnaphthalen-1-yl)pyrazole-4-carboxamide?
The InChIKey is HAKYFJKYKJJOPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13-9-10-14-7-5-6-8-16(14)17(13)21-18(23)15-11-20-22(12-15)19(2,3)4/h5-12H,1-4H3,(H,21,23).
What are the key properties of 1-tert-butyl-N-(2-methylnaphthalen-1-yl)pyrazole-4-carboxamide?
1-tert-butyl-N-(2-methylnaphthalen-1-yl)pyrazole-4-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 4.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-(2-methylnaphthalen-1-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 71849188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).