1-tert-butyl-5-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazole-3-carboxamide

C19H28N4O — CID 78888929

IUPAC1-tert-butyl-5-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazole-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)c(C)n1
InChIInChI=1S/C19H28N4O/c1-11(2)16-10-15(22-23(16)19(6,7)8)18(24)21-17-12(3)9-13(4)20-14(17)5/h9-11H,1-8H3,(H,21,24)
InChIKeySHGNMSILRSTJKL-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.33
Rot. Bonds3

About 1-tert-butyl-5-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazole-3-carboxamide

1-tert-butyl-5-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazole-3-carboxamide (PubChem CID 78888929) has the molecular formula C19H28N4O and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-tert-butyl-5-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazole-3-carboxamide
PubChem CID78888929
Molecular FormulaC19H28N4O
Molecular Weight328.46 g/mol
Exact Mass328.23
IUPAC Name1-tert-butyl-5-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazole-3-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)c(C)n1
InChIInChI=1S/C19H28N4O/c1-11(2)16-10-15(22-23(16)19(6,7)8)18(24)21-17-12(3)9-13(4)20-14(17)5/h9-11H,1-8H3,(H,21,24)
InChIKeySHGNMSILRSTJKL-UHFFFAOYSA-N
XLogP4.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazole-3-carboxamide (CID 78888929) is 1-tert-butyl-5-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazole-3-carboxamide is Cc1cc(C)c(NC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)c(C)n1.
What is the InChIKey of 1-tert-butyl-5-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazole-3-carboxamide?
The InChIKey is SHGNMSILRSTJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O/c1-11(2)16-10-15(22-23(16)19(6,7)8)18(24)21-17-12(3)9-13(4)20-14(17)5/h9-11H,1-8H3,(H,21,24).
What are the key properties of 1-tert-butyl-5-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazole-3-carboxamide?
1-tert-butyl-5-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazole-3-carboxamide has a molecular weight of 328.46 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-propan-2-yl-N-(2,4,6-trimethyl-3-pyridinyl)pyrazole-3-carboxamide is sourced from PubChem (CID 78888929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).