1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide

C23H29N5O2 — CID 56568236

IUPAC1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide
SMILESCc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1
InChIInChI=1S/C23H29N5O2/c1-13(2)20-25-22(30-27-20)16-9-7-8-14(3)19(16)24-21(29)17-12-18(15-10-11-15)28(26-17)23(4,5)6/h7-9,12-13,15H,10-11H2,1-6H3,(H,24,29)
InChIKeyPDYWYRAZNUHLEB-UHFFFAOYSA-N
MW407.52 g/mol
LogP5.25
Rot. Bonds5

About 1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide

1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide (PubChem CID 56568236) has the molecular formula C23H29N5O2 and a molecular weight of 407.52 g/mol. Its IUPAC name is 1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide
PubChem CID56568236
Molecular FormulaC23H29N5O2
Molecular Weight407.52 g/mol
Exact Mass407.23
IUPAC Name1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide
SMILESCc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1
InChIInChI=1S/C23H29N5O2/c1-13(2)20-25-22(30-27-20)16-9-7-8-14(3)19(16)24-21(29)17-12-18(15-10-11-15)28(26-17)23(4,5)6/h7-9,12-13,15H,10-11H2,1-6H3,(H,24,29)
InChIKeyPDYWYRAZNUHLEB-UHFFFAOYSA-N
XLogP5.25
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.52
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-tert-butyl-1-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]benzene-1,4-dicarboxamide
CID 56568237
tert-butyl N-[4-[[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]carbamoyl]phenyl]carbamate
CID 56568370
1-(2-methylphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 56568622
3,6-dimethyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-4-oxofuro[2,3-d]pyrimidine-5-carboxamide
CID 56568105
1-tert-butyl-5-cyclopropyl-N-(3-morpholin-4-ylphenyl)pyrazole-3-carboxamide
CID 55952950
N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide
CID 56568628
N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 56568299
2-(4-chloro-5-methyl-2-propan-2-ylphenoxy)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 56568465
N-methyl-4-[(E)-3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxoprop-1-enyl]benzamide
CID 56568362
2-[[(1-tert-butyl-5-cyclopropylpyrazole-3-carbonyl)amino]methyl]-3-(3-methylphenyl)propanoic acid
CID 119243382
1-(4-methoxyphenyl)-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 56568532
2-chloro-4-fluoro-N-[3-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)anilino]-3-oxopropyl]benzamide
CID 56568469

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide (CID 56568236) is 1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide is Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1.
What is the InChIKey of 1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide?
The InChIKey is PDYWYRAZNUHLEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O2/c1-13(2)20-25-22(30-27-20)16-9-7-8-14(3)19(16)24-21(29)17-12-18(15-10-11-15)28(26-17)23(4,5)6/h7-9,12-13,15H,10-11H2,1-6H3,(H,24,29).
What are the key properties of 1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide?
1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide has a molecular weight of 407.52 g/mol, XLogP of 5.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-cyclopropyl-N-[2-methyl-6-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 56568236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).