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

C18H27N5O2 — CID 139002224

IUPAC1-tert-butyl-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(C(C)(C)C)cc1C(=O)NC(c1nc(C2CC2)no1)C(C)C
InChIInChI=1S/C18H27N5O2/c1-10(2)14(17-20-15(22-25-17)12-7-8-12)19-16(24)13-9-23(18(4,5)6)21-11(13)3/h9-10,12,14H,7-8H2,1-6H3,(H,19,24)
InChIKeyQUZINLJKLPCPMM-UHFFFAOYSA-N
MW345.45 g/mol
LogP3.33
Rot. Bonds5

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

1-tert-butyl-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-methylpyrazole-4-carboxamide (PubChem CID 139002224) has the molecular formula C18H27N5O2 and a molecular weight of 345.45 g/mol. Its IUPAC name is 1-tert-butyl-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-tert-butyl-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-methylpyrazole-4-carboxamide
PubChem CID139002224
Molecular FormulaC18H27N5O2
Molecular Weight345.45 g/mol
Exact Mass345.22
IUPAC Name1-tert-butyl-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-methylpyrazole-4-carboxamide
SMILESCc1nn(C(C)(C)C)cc1C(=O)NC(c1nc(C2CC2)no1)C(C)C
InChIInChI=1S/C18H27N5O2/c1-10(2)14(17-20-15(22-25-17)12-7-8-12)19-16(24)13-9-23(18(4,5)6)21-11(13)3/h9-10,12,14H,7-8H2,1-6H3,(H,19,24)
InChIKeyQUZINLJKLPCPMM-UHFFFAOYSA-N
XLogP3.33
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.45
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(2-hydroxycyclohexyl)urea
CID 110933429
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]oxirane-2-carboxamide
CID 154880207
N-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 95232256
4-chloro-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-1-methylpyrazole-5-carboxamide
CID 138034358
trans-(1S,2S)-2-[[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 125132128
N-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-2-methoxy-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
CID 97144352
(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N,2-dimethylpropan-1-amine
CID 59361300
2-(aminomethyl)-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-1,3-thiazole-4-carboxamide
CID 119773224
3-amino-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-phenylpropanamide
CID 119951202
1-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-hydroxy-4-methylpentan-3-yl)urea
CID 111505843
1-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-(1-cyclopropylpiperidin-4-yl)urea
CID 95324847
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-carboxamide
CID 122564099

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-methylpyrazole-4-carboxamide?
The IUPAC name of 1-tert-butyl-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-methylpyrazole-4-carboxamide (CID 139002224) is 1-tert-butyl-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-tert-butyl-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-tert-butyl-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-methylpyrazole-4-carboxamide is Cc1nn(C(C)(C)C)cc1C(=O)NC(c1nc(C2CC2)no1)C(C)C.
What is the InChIKey of 1-tert-butyl-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-methylpyrazole-4-carboxamide?
The InChIKey is QUZINLJKLPCPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O2/c1-10(2)14(17-20-15(22-25-17)12-7-8-12)19-16(24)13-9-23(18(4,5)6)21-11(13)3/h9-10,12,14H,7-8H2,1-6H3,(H,19,24).
What are the key properties of 1-tert-butyl-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-methylpyrazole-4-carboxamide?
1-tert-butyl-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-methylpyrazole-4-carboxamide has a molecular weight of 345.45 g/mol, XLogP of 3.33, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-methylpropyl]-3-methylpyrazole-4-carboxamide is sourced from PubChem (CID 139002224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).