4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide

C16H22N4O — CID 66121059

IUPAC4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c1N
InChIInChI=1S/C16H22N4O/c1-10-13(17)14(20(5)19-10)15(21)18-12-8-6-11(7-9-12)16(2,3)4/h6-9H,17H2,1-5H3,(H,18,21)
InChIKeyPQQCSRFCSFCFNA-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.86
Rot. Bonds2

About 4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 66121059) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide
PubChem CID66121059
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c1N
InChIInChI=1S/C16H22N4O/c1-10-13(17)14(20(5)19-10)15(21)18-12-8-6-11(7-9-12)16(2,3)4/h6-9H,17H2,1-5H3,(H,18,21)
InChIKeyPQQCSRFCSFCFNA-UHFFFAOYSA-N
XLogP2.86
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide (CID 66121059) is 4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)Nc2ccc(C(C)(C)C)cc2)c1N.
What is the InChIKey of 4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is PQQCSRFCSFCFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-10-13(17)14(20(5)19-10)15(21)18-12-8-6-11(7-9-12)16(2,3)4/h6-9H,17H2,1-5H3,(H,18,21).
What are the key properties of 4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 286.38 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-tert-butylphenyl)-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66121059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).