1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide

C20H24N6O2 — CID 53179048

IUPAC1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CC2)cnn1-c1cc(-c2nc(C(C)(C)C)no2)ccn1
InChIInChI=1S/C20H24N6O2/c1-12-15(17(27)22-10-13-5-6-13)11-23-26(12)16-9-14(7-8-21-16)18-24-19(25-28-18)20(2,3)4/h7-9,11,13H,5-6,10H2,1-4H3,(H,22,27)
InChIKeyLDMCDHDGWJIESX-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.06
Rot. Bonds5

About 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide

1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide (PubChem CID 53179048) has the molecular formula C20H24N6O2 and a molecular weight of 380.45 g/mol. Its IUPAC name is 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide
PubChem CID53179048
Molecular FormulaC20H24N6O2
Molecular Weight380.45 g/mol
Exact Mass380.20
IUPAC Name1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCC2CC2)cnn1-c1cc(-c2nc(C(C)(C)C)no2)ccn1
InChIInChI=1S/C20H24N6O2/c1-12-15(17(27)22-10-13-5-6-13)11-23-26(12)16-9-14(7-8-21-16)18-24-19(25-28-18)20(2,3)4/h7-9,11,13H,5-6,10H2,1-4H3,(H,22,27)
InChIKeyLDMCDHDGWJIESX-UHFFFAOYSA-N
XLogP3.06
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide (CID 53179048) is 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)NCC2CC2)cnn1-c1cc(-c2nc(C(C)(C)C)no2)ccn1.
What is the InChIKey of 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide?
The InChIKey is LDMCDHDGWJIESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2/c1-12-15(17(27)22-10-13-5-6-13)11-23-26(12)16-9-14(7-8-21-16)18-24-19(25-28-18)20(2,3)4/h7-9,11,13H,5-6,10H2,1-4H3,(H,22,27).
What are the key properties of 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide?
1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide has a molecular weight of 380.45 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(cyclopropylmethyl)-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 53179048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).