1-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one

C18H25N5O2 — CID 91915846

IUPAC1-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCC(Cc3noc(C4CC4)n3)C2)n1
InChIInChI=1S/C18H25N5O2/c1-12-9-13(2)23(20-12)8-6-17(24)22-7-5-14(11-22)10-16-19-18(25-21-16)15-3-4-15/h9,14-15H,3-8,10-11H2,1-2H3
InChIKeyFDILWELBOCBSES-UHFFFAOYSA-N
MW343.43 g/mol
LogP2.24
Rot. Bonds6

About 1-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one

1-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one (PubChem CID 91915846) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
PubChem CID91915846
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1cc(C)n(CCC(=O)N2CCC(Cc3noc(C4CC4)n3)C2)n1
InChIInChI=1S/C18H25N5O2/c1-12-9-13(2)23(20-12)8-6-17(24)22-7-5-14(11-22)10-16-19-18(25-21-16)15-3-4-15/h9,14-15H,3-8,10-11H2,1-2H3
InChIKeyFDILWELBOCBSES-UHFFFAOYSA-N
XLogP2.24
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-Dimethylpyrazol-1-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 51984840
3-(3,5-Dimethylpyrazol-1-yl)-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 51984850
3-(3,5-Dimethylpyrazol-1-yl)-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 51984861
3-(3,5-Dimethylpyrazol-1-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 51984868
2-(3,5-Dimethylpyrazol-1-yl)-1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 52104845
4-[(5-Cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholine
CID 53556863
5-Cyclopropyl-3-[[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53604964
5-[[2-[(3,5-Dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 53623832
1-[4-(3-Butan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 56728003
3-(3,5-Dimethylpyrazol-1-yl)-1-[3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 56728262
2-(3,5-Dimethylpyrazol-1-yl)-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
CID 56818682
2-{[[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl](methyl)amino]methyl}-N,N-dimethyl-6,7-dihydropyrazolo[1,5-a]pyrazine-5(4H)-carboxamide
CID 56886771

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one (CID 91915846) is 1-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one is Cc1cc(C)n(CCC(=O)N2CCC(Cc3noc(C4CC4)n3)C2)n1.
What is the InChIKey of 1-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The InChIKey is FDILWELBOCBSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-12-9-13(2)23(20-12)8-6-17(24)22-7-5-14(11-22)10-16-19-18(25-21-16)15-3-4-15/h9,14-15H,3-8,10-11H2,1-2H3.
What are the key properties of 1-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one?
1-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one has a molecular weight of 343.43 g/mol, XLogP of 2.24, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]pyrrolidin-1-yl]-3-(3,5-dimethylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 91915846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).