5-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1H-pyrazole-3-carboxamide

C18H25N5O2 — CID 53181946

IUPAC5-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1noc(C2(NC(=O)c3cc(C4CC4)[nH]n3)CCCCC2)n1
InChIInChI=1S/C18H25N5O2/c1-11(2)15-19-17(25-23-15)18(8-4-3-5-9-18)20-16(24)14-10-13(21-22-14)12-6-7-12/h10-12H,3-9H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyHXNVZEAVRNCRCT-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.38
Rot. Bonds5

About 5-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1H-pyrazole-3-carboxamide (PubChem CID 53181946) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 5-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1H-pyrazole-3-carboxamide
PubChem CID53181946
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name5-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1H-pyrazole-3-carboxamide
SMILESCC(C)c1noc(C2(NC(=O)c3cc(C4CC4)[nH]n3)CCCCC2)n1
InChIInChI=1S/C18H25N5O2/c1-11(2)15-19-17(25-23-15)18(8-4-3-5-9-18)20-16(24)14-10-13(21-22-14)12-6-7-12/h10-12H,3-9H2,1-2H3,(H,20,24)(H,21,22)
InChIKeyHXNVZEAVRNCRCT-UHFFFAOYSA-N
XLogP3.38
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1H-pyrazole-3-carboxamide (CID 53181946) is 5-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1H-pyrazole-3-carboxamide is CC(C)c1noc(C2(NC(=O)c3cc(C4CC4)[nH]n3)CCCCC2)n1.
What is the InChIKey of 5-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1H-pyrazole-3-carboxamide?
The InChIKey is HXNVZEAVRNCRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11(2)15-19-17(25-23-15)18(8-4-3-5-9-18)20-16(24)14-10-13(21-22-14)12-6-7-12/h10-12H,3-9H2,1-2H3,(H,20,24)(H,21,22).
What are the key properties of 5-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1H-pyrazole-3-carboxamide has a molecular weight of 343.43 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclohexyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 53181946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).